SCHEMBL5074233

SCHEMBL5074233

O=c1[nH]c2c(Cl)cc([C@H](O)CCl)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRA2A P08913 1/20 0.34
TSHR P16473 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
THPO P40225 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRM5 P41594 2/20 0.33

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
SCHEMBL5512753 1.00 KMO (0.39) KMOKDM4EALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL5513581 0.86 KMO (0.37) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL14510182 0.85 KMO (0.36) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL5074235 0.73 KMO (0.39) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL10884762 0.72 KMO (0.50) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL5078162 0.72 ALDH1A1 (0.58) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL5547925 0.69 KMO (0.47) KMOKDM4EALDH1A1LMNACYP1A2
SCHEMBL5547929 0.69 NOS1 (0.49) KMOKDM4ELMNACYP1A2ADRA2A
SCHEMBL15319641 0.69 KMO (0.47) KMOKDM4EALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL6426764 0.69 KMO (0.40) KMOKDM4EALDH1A1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381598-A4 NOVEL TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-03-19 EP disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
CN-1514833-A Novel tyrosine kinase inhibitors ����˹�ж�-����˹˹������˾ 2004-07-21 CN disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 US disclosed
EP-1381598-A1 NOVEL TYROSINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-21 EP disclosed
WO-2002079192-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 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-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER KMO 1739/4885KDM4E 1067/4885ALDH1A1 1038/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 KMO 1415/4885KDM4E 991/4885ALDH1A1 1282/4885

“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.