Sugi Predict

Sugi Predict / Compounds / SCHEMBL6284204

SCHEMBL6284204

SCHEMBL6284204

O=C(O)Cc1c(F)ccc([N+](=O)[O-])c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TTR P02766 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GMNN O75496 1/20 0.38

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
SCHEMBL6284211 1.00 GPR35 (0.44) GPR35CYP1A2TDP1ATMTTR
SCHEMBL6583252 0.85 CYP1A2 (0.45) CYP1A2TDP1ATMHIF1AALDH1A1
SCHEMBL31558555 0.85 CYP1A2 (0.45) CYP1A2TDP1ATMHIF1AALDH1A1
SCHEMBL6285685 0.83 PDGFRB (0.42) GPR35TDP1ATMTTRALDH1A1
SCHEMBL6179100 0.82 TDP1 (0.44) CYP1A2TDP1ATMHIF1AALDH1A1
SCHEMBL3391673 0.81 CYP1A2 (0.45) CYP1A2TDP1ATMHIF1AALDH1A1
SCHEMBL16418206 0.80 CYP1A2 (0.44) GPR35CYP1A2TDP1ATMHIF1A
SCHEMBL16418207 0.80 CYP1A2 (0.44) GPR35CYP1A2TDP1ATMHIF1A
SCHEMBL8772070 0.80 AR (0.42) CYP1A2TDP1ATMTTRHIF1A
SCHEMBL2438040 0.79 CYP1A2 (0.54) GPR35CYP1A2TDP1ATMTTR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852761-B2 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-02-08 — — US disclosed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US disclosed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 — — US disclosed
US-6660885-B2 Serine protease inhibitor PHARMACIA CORPORATION 2003-12-09 — — US disclosed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US disclosed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — 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 (3 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-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT GPR35 3399/4885CYP1A2 704/4885TDP1 1448/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT GPR35 3399/4885CYP1A2 704/4885TDP1 1448/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT GPR35 3399/4885CYP1A2 704/4885TDP1 1448/4885

“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.