SCHEMBL10054049

SCHEMBL10054049

CCn1c(=O)c(C)nc2cc(C)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.61
PDE10A Q9Y233 1/20 0.48
TLR8 Q9NR97 1/20 0.48
BRPF1 P55201 4/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAD52 P43351 1/20 0.45
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
POLB P06746 1/20 0.43
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7601603 0.87 ACSS2 (0.53) NLRP3PDE10ATLR8BRPF1RAB9A
SCHEMBL30979306 0.86 NLRP3 (0.46) NLRP3PDE10ATLR8BRPF1RAB9A
SCHEMBL15731859 0.82 HDAC1 (0.46) NLRP3BRPF1KDM4EALDH1A1HPGD
SCHEMBL30919385 0.82 BRPF1 (0.57) BRPF1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10022427 0.82 BRPF1 (0.49) NLRP3BRPF1KDM4EALDH1A1HPGD
SCHEMBL6606816 0.82 NLRP3 (0.59) NLRP3TLR8RAB9AKDM4EALDH1A1
SCHEMBL15709226 0.82 BRPF1 (0.57) BRPF1RAB9AKDM4EALDH1A1HPGD
SCHEMBL979684 0.80 KDM4E (0.69) RAB9AKDM4EALDH1A1HPGDLMNA
SCHEMBL10989096 0.80 KDM4E (0.68) NLRP3TLR8RAB9AKDM4EHPGD
SCHEMBL15730854 0.79 TDP1 (0.50) NLRP3BRPF1KDM4EALDH1A1HPGD

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 US disclosed
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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 (2 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 NLRP3 2711/4885PDE10A 2997/4885TLR8 1294/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA NLRP3 3873/4885PDE10A 427/4885TLR8 4561/4885

“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.