SCHEMBL3046337

SCHEMBL3046337

O=C(O)CNc1cc2ccccc2oc1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PKM P14618 2/20 0.61
LMNA P02545 2/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
HPGD P15428 2/20 0.60
MAOA P21397 2/20 0.60
HSD17B10 Q99714 1/20 0.60
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA3 P07451 1/20 0.54
TSHR P16473 1/20 0.54
CA4 P22748 1/20 0.54

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
SCHEMBL11246990 0.83 NPC1 (0.57) MAOBNPC1RAB9AMEN1KMT2A
SCHEMBL28650599 0.80 MEN1 (0.66) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11396751 0.80 MAOB (0.71) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6260303 0.80 LMNA (0.61) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11501221 0.78 MAOB (0.57) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL3040430 0.77 MAOB (0.73) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28563825 0.76 SMN1; SMN2 (0.74) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL28682651 0.76 MAOB (0.70) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4077096 0.76 LMNA (0.57) MAOBSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL11501220 0.76 MAOB (0.61) MAOBSMN1; SMN2NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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-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
US-3957817-A BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-18 US 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 3705/4885SMN1; SMN2 3509/4885NPC1 3236/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS MAOB 2592/4885SMN1; SMN2 3365/4885NPC1 3361/4885

“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.