SCHEMBL985701

SCHEMBL985701

COc1cc(C(=O)Cl)cc(Br)c1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.70
APOBEC3A P31941 1/20 0.70
HTT P42858 1/20 0.70
APOBEC3G Q9HC16 1/20 0.70
TNFRSF1A P19438 2/20 0.54
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 1/20 0.50
TPMT P51580 2/20 0.49
PTPN1 P18031 2/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ABCB1 P08183 1/20 0.45

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
SCHEMBL985767 0.89 TPMT (0.55) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL28275397 0.87 TUBB4A (0.55) TSHRAPOBEC3AHTTAPOBEC3GLMNA
SCHEMBL219096 0.87 TUBB4A (0.55) TSHRAPOBEC3AHTTAPOBEC3GLMNA
SCHEMBL1134614 0.84 TSHR (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL1204414 0.84 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL30740894 0.84 HTT (0.72) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL30740936 0.82 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL27914756 0.82 TSHR (1.00) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL31520156 0.82 TSHR (0.70) TSHRAPOBEC3AHTTAPOBEC3GTNFRSF1A
SCHEMBL985988 0.81 TSHR (0.44) TSHRAPOBEC3AHTTAPOBEC3GLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 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 (2 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 TSHR 4830/4885APOBEC3A 1646/4885HTT 4701/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 TSHR 4833/4885APOBEC3A 1504/4885HTT 4681/4885

“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.