SCHEMBL6478470

SCHEMBL6478470

COc1ccc(CNC(=O)C=Cc2c(-c3ccccc3)n(C)c3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 5/20 0.50
RXFP1 Q9HBX9 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 1/20 0.46
PADI4 Q9UM07 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.44
IDO1 P14902 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 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
SCHEMBL6478467 1.00 MEN1 (0.56) MEN1KMT2AALDH1A1RXFP1NPC1
SCHEMBL6486271 0.89 KMT2A (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6486265 0.89 KMT2A (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6487398 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6487393 0.88 KMT2A (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6478627 0.82 ALDH1A1 (0.48) KMT2AALDH1A1RXFP1NPC1RAB9A
SCHEMBL6478631 0.82 ALDH1A1 (0.48) KMT2AALDH1A1RXFP1NPC1RAB9A
SCHEMBL6488724 0.81 GAA (0.53) KMT2AALDH1A1RXFP1NPC1RAB9A
SCHEMBL6488719 0.81 GAA (0.53) KMT2AALDH1A1RXFP1NPC1RAB9A
SCHEMBL6487526 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ALMNAPADI4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 MEN1 1774/4885KMT2A 1575/4885ALDH1A1 2521/4885

“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.