SCHEMBL3040430

SCHEMBL3040430

O=C(O)CNC(=O)c1cc2ccccc2oc1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.73
NPC1 O15118 5/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
MAOA P21397 2/20 0.66
F12 P00748 1/20 0.66
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HSD17B10 Q99714 3/20 0.64
RAB9A P51151 3/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA3 P07451 1/20 0.63
TSHR P16473 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA5A P35218 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
GPR35 Q9HC97 1/20 0.63
CA14 Q9ULX7 1/20 0.63

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
SCHEMBL76133 0.90 MAOB (0.75) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL13448131 0.85 MAOB (0.67) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL3045340 0.85 MAOB (0.67) MAOBNPC1L3MBTL1MAOAKDM4E
SCHEMBL15058644 0.84 MAOB (0.73) MAOBNPC1L3MBTL1MAOAKDM4E
SCHEMBL34468932 0.82 NPC1 (1.00) MAOBNPC1L3MBTL1KDM4EALDH1A1
SCHEMBL30214896 0.82 MAOB (1.00) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL4390923 0.82 MAOB (1.00) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL5655976 0.82 NPC1 (0.68) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL31661779 0.82 NPC1 (0.68) MAOBNPC1L3MBTL1MAOAF12
SCHEMBL15892984 0.82 MAOB (1.00) MAOBNPC1L3MBTL1MAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP disclosed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 US disclosed
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 US disclosed
EP-1294747-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2003-03-26 EP disclosed
WO-2002002596-A2 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR, S.A. (ES) 2002-01-10 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 (2 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-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, PML, APLNR MAOB 3705/4885NPC1 3236/4885L3MBTL1 2089/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS MAOB 2592/4885NPC1 3361/4885L3MBTL1 3085/4885

“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.