SCHEMBL10022665

SCHEMBL10022665

Cn1c(C(=O)O)cc2cc(C(N)=O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.63
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
HSD17B10 Q99714 3/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
BRD4 O60885 1/20 0.57
BRPF1 P55201 1/20 0.57
GPR35 Q9HC97 1/20 0.54
GFER P55789 1/20 0.50
SRD5A2 P31213 1/20 0.50
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
SLC9A1 P19634 1/20 0.47
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44

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
SCHEMBL28238032 0.90 KDM4E (0.60) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5889548 0.88 KDM4E (0.68) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL327069 0.87 MCL1 (0.63) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7798 0.82 DAO (0.62) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL28264529 0.80 MCL1 (0.61) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4138884 0.80 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL6969376 0.80 HSD17B10 (0.66) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10022424 0.79 KDM4E (0.55) MCL1KDM4EALDH1A1HSD17B10HPGD
Hydrochloric Acid SCHEMBL19211741 0.79 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL30547707 0.78 KDM4E (0.68) MCL1KDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA MCL1 1766/4885KDM4E 2031/4885ALDH1A1 2674/4885

“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.