SCHEMBL2065478

SCHEMBL2065478

O=C(O)NCC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.43
HTT P42858 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C19 P33261 4/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 2/20 0.40
TSHR P16473 1/20 0.40
KCNN4 O15554 1/20 0.39
HIF1A Q16665 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
SCHEMBL7075423 0.85 KIF11 (0.44) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL3901654 0.84 LMNA (0.48) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL15975053 0.82 NPSR1 (0.56) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL9857795 0.81 ALDH1A1 (0.42) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL5967138 0.81 CYP1A2 (0.46) MEN1KMT2ALMNAMAPK1CYP2C19
SCHEMBL9684808 0.80 CYP2C19 (0.56) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL9684810 0.80 CYP2C19 (0.56) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL14829969 0.79 NPSR1 (0.48) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL11409035 0.78 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1CYP2C19
SCHEMBL11409037 0.78 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1CYP2C19

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 MEN1 910/4885KMT2A 1723/4885SMN1; SMN2 3008/4885

“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.