SCHEMBL2362782

SCHEMBL2362782

O=C1CCCN1CCN(C(=O)O)c1cccc(Cc2nn(-c3cc(F)cc(F)c3)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
PARP1 P09874 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
GPR52 Q9Y2T5 1/20 0.32
USP2 O75604 1/20 0.32
EPHX2 P34913 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL13274524 0.93 GPR52 (0.38) MEN1MAPTRECQLKMT2AALDH1A1
SCHEMBL13274882 0.88 EPHX2 (0.32) EPHX2
SCHEMBL2220636 0.87 ALDH1A1 (0.36) MAPTALDH1A1POLBKDM4CCYP1A2
SCHEMBL2268510 0.86 CACNA2D1 (0.37) MAPTKMT2AALDH1A1POLBKDM4C
SCHEMBL2362163 0.85 OPRM1 (0.36) ALDH1A1PARP1
SCHEMBL13275002 0.85 CASR (0.36) ALDH1A1POLBPARP1RAB9AEPHX2
SCHEMBL13275399 0.85 OPRM1 (0.32) PARP1
SCHEMBL13275357 0.84 HDAC1 (0.32)
SCHEMBL13275361 0.84 OPRM1 (0.32)
SCHEMBL2223717 0.84 KMT2A (0.33) MEN1KMT2AALDH1A1NPC1RAB9A

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
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
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 MEN1 1349/4885MAPT 2313/4885RECQL 3332/4885

“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.