SCHEMBL3956729

SCHEMBL3956729

NC(=O)C1CC(C(=O)N2CCCC2)=NO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ PTK2 Q05397 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GNE Q9Y223 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34

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
SCHEMBL7563010 0.77 KMT2A (0.37) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7563005 0.77 KMT2A (0.37) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3956416 0.76 KMT2A (0.37) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3987305 0.76 NPC1 (0.58) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31308703 0.75 LMNA (0.38) KMT2ASMN1; SMN2MAPK1HSD17B10ALDH1A1
SCHEMBL3984219 0.73 RAB9A (0.55) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL9849410 0.72 KMT2A (0.33) KMT2ANPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9548304 0.71 KMT2A (0.33) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31308751 0.70 PDE4A (0.40) KMT2ASMN1; SMN2MAPK1HSD17B10KDM4E
SCHEMBL3987039 0.68 RAB9A (0.56) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP claimed
JP-2005514365-A — — 2005-05-19 — — JP claimed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 — — US claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — WO claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 — — EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 — — US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 — — US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 — — US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 — — EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 — — US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 — — 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 KMT2A 1114/4885NPC1 3769/4885RAB9A 773/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 KMT2A 1093/4885NPC1 3635/4885RAB9A 968/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 KMT2A 894/4885NPC1 3962/4885RAB9A 1014/4885

“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.

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