SCHEMBL2065480

SCHEMBL2065480

O=C(O)N(O)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
HRH1 P35367 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5 P09917 1/20 0.41
TACR1 P25103 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
EPHX2 P34913 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL9684822 0.82 AOC3 (0.53) HTR2AHRH1ALOX5TAAR1
SCHEMBL3649127 0.77 KMT2A (0.42) HTR2AHRH1TDP1ALOX5
SCHEMBL7624337 0.75 ALDH1A1 (0.47) HTR2AHRH1TDP1CYP2D6SRC
SCHEMBL17770622 0.72 HRH1 (0.48) HTR2AHRH1TDP1CYP2D6SRC
SCHEMBL10044469 0.72 HTR2A (0.53) HTR2AHRH1TDP1TACR1MTNR1A
SCHEMBL3279004 0.70 ALOX5 (0.60) LMNAALOX5CES2CES1
SCHEMBL13178540 0.70 HTR2A (0.50) HTR2AHRH1TDP1LMNAALOX5
SCHEMBL5847528 0.67 HTR2A (0.52) HTR2AHRH1TDP1LMNAMAPK1
SCHEMBL3409312 0.67 HMOX2 (0.53) HTR2ACYP2D6SRCLMNAMAPK1
3,3-Diphenylpropanoic Acid SCHEMBL5283373 0.67 GABBR2 (0.59) CYP2D6SRCLMNAMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-25 US disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 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 (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-20100048581-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS ERBB2, TEC, TTBK1 HTR2A 4538/4885HRH1 3599/4885TDP1 447/4885

“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.