Sugi Predict

Sugi Predict / Compounds / SCHEMBL1248784

SCHEMBL1248784

SCHEMBL1248784

O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ BLM P54132 2/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS1 P29475 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GRIN2D O15399 5/20 0.41
▸ GRIN3B O60391 5/20 0.41
▸ GRIN1 Q05586 5/20 0.41
▸ GRIN2A Q12879 5/20 0.41
▸ GRIN2B Q13224 5/20 0.41
▸ GRIN2C Q14957 5/20 0.41
▸ GRIN3A Q8TCU5 5/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GRIA1 P42261 2/20 0.41
▸ GRIA2 P42262 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5695541 0.83 PSMB8 (0.44) TSHRCYP1A2LMNABLMGRIN2D
SCHEMBL18152845 0.81 GPR35 (0.46) TSHRCYP1A2LMNABLMGRIN2D
SCHEMBL8596930 0.77 L3MBTL1 (0.48) TSHRCYP1A2LMNABLMGRIN2D
SCHEMBL5731977 0.77 GPR35 (0.38) TSHRCYP1A2LMNABLMNOS3
SCHEMBL10732234 0.75 CYP1A2 (0.52) TSHRCYP1A2LMNABLMADRA2A
SCHEMBL13681634 0.75 NOS1 (0.52) TSHRCYP1A2LMNABLMADRA2A
SCHEMBL11301720 0.74 NOS1 (0.50) TSHRCYP1A2LMNABLMADRA2A
SCHEMBL2149156 0.73 OGT (0.43) TSHRCYP1A2LMNABLMNOS1
SCHEMBL17261393 0.73 NOS1 (0.49) TSHRCYP1A2LMNABLMADRA2A
SCHEMBL31139539 0.73 NOS1 (0.49) TSHRCYP1A2LMNABLMADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion SERENTRIX, LLC 2019-03-19 — — US disclosed
EP-2552888-B1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION SERENTRIX LLC (US) 2018-09-26 — — EP disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 — — US disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 — — US disclosed
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX, LLC 2017-06-01 — — US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 — — US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 — — US disclosed
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion SERENTRIX LLC (US) 2016-10-06 — — US disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 — — US disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 — — US disclosed
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMECEUTICALS B.V. (NL) 2007-03-29 — — US disclosed
CN-1835935-A Stable polymorph of Bifeprunox mesylate SOLVAY PHARM BV (NL) 2006-09-20 — — CN disclosed
US-20060194812-A1 Stable crystalline form of bifeprunox mesylate, dosage forms thereof and methods for using same SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-31 — — US disclosed
WO-2006087369-A1 STABLE CRYSTALLINE FORM OF BIFEPRUNOX MESYLATE, DOSAGE FORMS THEREOF AND METHODS FOR USING THEM SOLVAY PHARMACEUTICALS B.V. (NL) 2006-08-24 — — WO disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 — — US disclosed
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition SOLVAY PHARMACEUTICALS B.V. 2006-06-08 — — US disclosed
EP-1656358-A2 STABLE POLYMORPH OF BIFEPRUNOX MESILATE Solvay Pharmaceuticals B.V. (NL) 2006-05-17 — — EP disclosed
US-20060040932-A1 Stable crystalline form of bifeprunox mesylate (7-[4-([1,1'-biphenyl]-3-ylmethyl)-1-piperazinyl]-2(3H)-benzoxazolone monomethanesulfonate) ABBVIE B.V. (NL) 2006-02-23 — — US disclosed
US-20050107396-A1 Stable crystalline form of bifeprunox mesylate (7-[4-([1,1'-biphenyl]-3-ylmethyl)-1-piperazinyl]-2(3H)-benzoxazolone monomethanesulfonate) ABBVIE B.V. (NL) 2005-05-19 — — US disclosed
WO-2005016898-A2 STABLE POLYMORPH OF BIFEPRUNOX MESILATE SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-24 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194812-A1 Stable crystalline form of bifeprunox mesylate, dosage forms thereof and methods for using same PDE11A, PDE9A, PDE1A TSHR 2319/4885CYP1A2 366/4885LMNA 2320/4885
US-20070072870-A2 PHENYLPIPERAZINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION HTR2C, HTR2A, HTR5A TSHR 180/4885CYP1A2 144/4885LMNA 4729/4885
US-20060122189-A1 Phenylpiperazine derivatives with a combination of partial dopamine-D2 receptor agonism and serotonin reuptake inhibition HTR2C, HTR2A, HTR5A TSHR 180/4885CYP1A2 144/4885LMNA 4729/4885
US-20170152252-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 TSHR 1950/4885CYP1A2 2875/4885LMNA 1550/4885
US-10233177-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion TRPV1, TRPV5, TRPV3 TSHR 1950/4885CYP1A2 2875/4885LMNA 1550/4885
US-20060040932-A1 Stable crystalline form of bifeprunox mesylate (7-[4-([1,1'-biphenyl]-3-ylmethyl)-1-piperazinyl]-2(3H)-benzoxazolone monomethanesulfonate) PARK7, SNCA, P2RX1 TSHR 790/4885CYP1A2 155/4885LMNA 2072/4885
US-20050107396-A1 Stable crystalline form of bifeprunox mesylate (7-[4-([1,1'-biphenyl]-3-ylmethyl)-1-piperazinyl]-2(3H)-benzoxazolone monomethanesulfonate) PARK7, SNCA, P2RX1 TSHR 790/4885CYP1A2 155/4885LMNA 2072/4885
US-20160289199-A1 TRPV1 Vanilloid Receptor Antagonists With A Bicyclic Portion TRPV1, TRPV5, TRPV3 TSHR 1950/4885CYP1A2 2875/4885LMNA 1550/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.