SCHEMBL2499237

SCHEMBL2499237

O=C1CSc2ccccc2N1Cc1ccccc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
PIM1 P11309 1/20 0.69
TSHR P16473 2/20 0.67
TP53 P04637 1/20 0.62
CHRM1 P11229 1/20 0.60
HSD17B10 Q99714 1/20 0.52
NPSR1 Q6W5P4 1/20 0.49
GFER P55789 1/20 0.48
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
GSK3B P49841 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL13150780 0.82 ALDH1A1 (0.70) ALDH1A1PIM1TSHRTP53CHRM1
SCHEMBL30990560 0.82 PIM1 (1.00) ALDH1A1PIM1TSHRTP53LMNA
SCHEMBL31490259 0.80 ALDH1A1 (0.67) ALDH1A1TSHRTP53CHRM1LMNA
SCHEMBL7366310 0.79 TSHR (0.78) ALDH1A1TSHRNPSR1GFERLMNA
SCHEMBL15110650 0.77 CHRM1 (1.00) ALDH1A1CHRM1
SCHEMBL15111916 0.77 ALDH1A1 (0.60) ALDH1A1PIM1TSHRTP53CHRM1
SCHEMBL10066394 0.75 NPSR1 (0.63) ALDH1A1TSHRCHRM1NPSR1GFER
SCHEMBL21905600 0.74 HSD17B10 (0.62) ALDH1A1TP53HSD17B10LMNA
SCHEMBL21972942 0.74 HSD17B10 (0.67) ALDH1A1TP53HSD17B10LMNA
SCHEMBL21972099 0.74 MAPT (0.77) ALDH1A1TP53HSD17B10GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3135672-B9 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-05-20 EP disclosed
EP-3135672-B1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC (US) 2020-02-19 EP disclosed
US-10421763-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2019-09-24 US disclosed
US-10421763-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2019-09-24 US disclosed
US-20180086777-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS PURDUE PHARMA L.P. (US) 2018-03-29 US disclosed
US-20180086777-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS PURDUE PHARMA L.P. (US) 2018-03-29 US disclosed
US-9738659-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2017-08-22 US disclosed
US-9738659-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2017-08-22 US disclosed
US-9738659-B2 Compositions of protein receptor tyrosine kinase inhibitors PURDUE PHARMA L.P. (US) 2017-08-22 US disclosed
EP-3135672-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM Discovery, Inc. (US) 2017-03-01 EP disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-8729081-B2 Compositions and methods for treating alcohol use disorders, pain and other diseases VM DISCOVERY INC. (US) 2014-05-20 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US disclosed
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2011-12-08 US disclosed
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM PHARMA LLC (US) 2011-12-08 US disclosed
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM PHARMA LLC (US) 2011-12-08 US disclosed
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM PHARMA LLC (US) 2011-12-08 US disclosed
EP-2376495-A2 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM Pharma LLC (US) 2011-10-19 EP disclosed
WO-2010077680-A2 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS VM DISCOVERY INC. (US) 2010-07-08 WO disclosed
WO-2010042925-A2 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES VM DISCOVERY INC. (US) 2010-04-15 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 (4 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-10421763-B2 Compositions of protein receptor tyrosine kinase inhibitors NGFR, NGF, GRB2 ALDH1A1 4731/4885PIM1 1424/4885TSHR 562/4885
US-20180086777-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS NGFR, NGF, GRB2 ALDH1A1 4705/4885PIM1 1578/4885TSHR 556/4885
US-20110301149-A1 COMPOSITIONS AND METHODS FOR TREATING ALCOHOL USE DISORDERS, PAIN AND OTHER DISEASES PRKCH, PRKCG, PRKCQ ALDH1A1 886/4885PIM1 2865/4885TSHR 3605/4885
US-20110301133-A1 COMPOSITIONS OF PROTEIN RECEPTOR TYROSINE KINASE INHIBITORS NGFR, NGF, GRB2 ALDH1A1 4731/4885PIM1 1424/4885TSHR 562/4885

“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.