SCHEMBL2264904

SCHEMBL2264904

CC(=O)c1nn(-c2ccc(Cl)cc2)ccc1=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
UBE2N P61088 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 2/20 0.57
CTDSP1 Q9GZU7 1/20 0.56
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 2/20 0.54
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.51
PTGS2 P35354 1/20 0.47
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 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
SCHEMBL2221815 0.86 CYP2C9 (0.73) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL11406404 0.84 ALDH1A1 (0.72) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL11389512 0.80 NPC1 (0.67) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL18399489 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL13506227 0.80 ALDH1A1 (0.73) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL2266253 0.80 UBE2N (0.62) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL2220616 0.79 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL518764 0.78 MAPT (0.58) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL10258606 0.78 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1
SCHEMBL518765 0.78 MAPT (0.58) ALDH1A1CYP1A2CYP3A4UBE2NL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 ALDH1A1 1673/4885CYP1A2 4342/4885CYP3A4 4707/4885

“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.