SCHEMBL10144271

SCHEMBL10144271

Cc1ncc(Cl)cc1NC=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.33
DHODH Q02127 1/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 3/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CCR2 P41597 1/20 0.32
CCR4 P51679 1/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
MEN1 O00255 2/20 0.32
CRHR1 P34998 2/20 0.32
PABPC1 P11940 1/20 0.32
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.30

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
SCHEMBL29623551 0.81 PIK3CA (0.33) PIK3CAHSD17B10HTTHPGDKMT2A
SCHEMBL11061915 0.80 NPC1 (0.38) PIK3CAHTTCYP3A4CYP2C19KMT2A
SCHEMBL24578767 0.76 KDM4E (0.33) MAPTNPSR1MAPK1ALDH1A1KDM4E
SCHEMBL7943085 0.76 CHUK (0.38) PIK3CADHODHHSD17B10HTTHPGD
SCHEMBL25790686 0.75 PIK3CA (0.35) PIK3CADHODHHSD17B10HTTHPGD
SCHEMBL15087317 0.74 HSD17B10 (0.33) PIK3CADHODHHSD17B10HTTHPGD
SCHEMBL20200131 0.73 PIK3C3 (0.52) PIK3CAHSD17B10HPGDKMT2ALMNA
SCHEMBL20201310 0.72 CRHR1 (0.37) PIK3CAHSD17B10HTTCYP3A4KMT2A
Tert-Butyl Formate SCHEMBL27816861 0.72 TDP1 (0.37) DHODHCYP3A4CYP2C9CYP2C19CCR2
SCHEMBL16168598 0.71 ERN1 (0.43) HSD17B10HTTHPGDCYP3A4CYP2C19

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-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-9108922-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-18 US disclosed
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-12-25 US disclosed
US-8691847-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-04-08 US disclosed
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA MILLENNIUM PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-8063036-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 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 (5 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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PIK3CA 3179/4885DHODH 2807/4885HSD17B10 3314/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PIK3CA 3179/4885DHODH 2807/4885HSD17B10 3314/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PIK3CA 3179/4885DHODH 2807/4885HSD17B10 3314/4885
US-20120083602-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PIK3CA 3179/4885DHODH 2807/4885HSD17B10 3314/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 PIK3CA 3179/4885DHODH 2807/4885HSD17B10 3314/4885

“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.