SCHEMBL2056409

SCHEMBL2056409

COC(=O)Nc1ccc(C)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 3/20 0.55
NPC1 O15118 11/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 3/20 0.54
TP53 P04637 3/20 0.54
MITF O75030 1/20 0.54
ALDH1A1 P00352 2/20 0.53
PKM P14618 2/20 0.53
GLA P06280 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.50
HCRTR1 O43613 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL21241297 0.83 RAB9A (0.62) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL1126145 0.83 RAB9A (0.62) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL23201181 0.83 RAB9A (0.62) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL8210531 0.82 RAB9A (0.57) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL2636192 0.82 RAB9A (0.78) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL3308221 0.82 RAB9A (0.77) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL17577318 0.81 DEGS1 (0.60) RAB9AMAPT
SCHEMBL423961 0.81 RAB9A (0.75) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL5788823 0.80 RAB9A (0.58) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL5689000 0.80 RAB9A (0.60) RAB9AMAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102189-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US disclosed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US disclosed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US disclosed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 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 (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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 RAB9A 1077/4885MAPT 726/4885KMT2A 2045/4885

“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.