SCHEMBL287236

SCHEMBL287236

O=CCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
LMNA P02545 3/20 0.59
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.50
ACHE P22303 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PYCR1 P32322 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL3718150 0.87 TSHR (0.62) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL27554225 0.85 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL27456840 0.85 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28879992 0.85 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL7077091 0.85 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28184209 0.85 TSHR (0.66) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL28268178 0.85 TSHR (0.61) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL27943224 0.84 TSHR (0.56) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL3217084 0.84 TSHR (0.59) TSHRLMNACYP1A2CYP2D6CYP2C9
Formamide SCHEMBL28222941 0.83 TSHR (0.54) TSHRLMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. 2022-10-13 US disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2021021761-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION NURIX THERAPEUTICS, INC. (US) 2021-02-04 WO disclosed
EP-3331885-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-23 EP disclosed
EP-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 EP disclosed
CN-108137599-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2020-10-27 CN disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
US-6326377-B1 PSYCHOLOGICAL DISORDERS THERAPY ADIR ET COMPAGNIE (FR) 2001-12-04 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
EP-0887350-B1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-22 EP disclosed
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
EP-1062204-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2000-12-27 EP disclosed
US-6090837-A PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 2000-07-18 US disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
WO-1999046244-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
EP-0887350-A1 Chromene derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-12-30 EP 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 (1 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-20220324835-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF CBLB, CBL, CBLC TSHR 4165/4885LMNA 2103/4885CYP1A2 4696/4885

“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.