SCHEMBL3045340

SCHEMBL3045340

COC(=O)CNC(=O)c1cc2ccccc2oc1=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.67
KDM4E B2RXH2 6/20 0.66
ALDH1A1 P00352 5/20 0.66
HSD17B10 Q99714 4/20 0.66
MEN1 O00255 1/20 0.66
MAPK1 P28482 1/20 0.66
HTT P42858 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HPGD P15428 1/20 0.64
MAOA P21397 3/20 0.64
NPC1 O15118 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.59

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 0.86 MAOB (0.75) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL3040430 0.85 MAOB (0.73) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL13448131 0.84 MAOB (0.67) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL15058644 0.83 MAOB (0.73) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL9690588 0.82 SMN1; SMN2 (0.63) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL14346006 0.81 MAOB (0.76) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL10047718 0.80 MAOB (0.68) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL7511318 0.79 KDM4E (0.73) MAOBKDM4EALDH1A1HSD17B10MEN1
SCHEMBL76086 0.79 KDM4E (1.00) MAOBKDM4EALDH1A1MEN1KMT2A
SCHEMBL4390923 0.79 MAOB (1.00) MAOBKDM4EALDH1A1HPGDMAOA

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 9 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
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-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 3705/4885KDM4E 1725/4885ALDH1A1 2688/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS MAOB 2592/4885KDM4E 2589/4885ALDH1A1 1787/4885

“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.