SCHEMBL15090359

SCHEMBL15090359

CN(C)/C(=N\C#N)NC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
SIGMAR1 Q99720 4/20 0.41
EPHX1 P07099 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EPHX2 P34913 1/20 0.36
MAPK10 P53779 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL10144670 0.83 HPGD (0.39) HPGDSIGMAR1EPHX1ALDH1A1KDM4E
SCHEMBL16349422 0.76 SIGMAR1 (0.45) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL10575962 0.75 SIGMAR1 (0.54) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL2740853 0.74 SIGMAR1 (0.53) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL30751975 0.72 SIGMAR1 (0.55) SIGMAR1EPHX1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL9913290 0.69 MAPK10 (0.40) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL6225852 0.69 SIGMAR1 (0.47) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL11699977 0.68 POLB (0.44) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL11699982 0.68 POLB (0.44) HPGDSIGMAR1EPHX1SMN1; SMN2ALDH1A1
SCHEMBL16313565 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HPGD 1093/4885SIGMAR1 4392/4885EPHX1 553/4885
US-20140377247-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HPGD 1093/4885SIGMAR1 4392/4885EPHX1 553/4885
US-20130172310-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 HPGD 1093/4885SIGMAR1 4392/4885EPHX1 553/4885

“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.