SCHEMBL6633482

SCHEMBL6633482

CC(=O)Nc1cc(C)ns1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
HTR2C P28335 2/20 0.48
HTR2A P28223 1/20 0.48
RIPK1 Q13546 1/20 0.47
PKM P14618 2/20 0.47
ALOX15 P16050 2/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3772534 0.86 SMARCA2 (0.51) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL11129213 0.82 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL14445424 0.82 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL11410175 0.81 SMARCA2 (0.55) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL8064953 0.79 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL11402099 0.79 SMARCA2 (0.50) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL11668320 0.79 SMARCA2 (0.47) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL5776103 0.79 HTR2C (0.48) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL7933612 0.78 SMARCA2 (0.46) SMARCA2SMARCA4HTR2CHTR2ARIPK1
SCHEMBL4414340 0.78 SMARCA2 (0.49) SMARCA2SMARCA4HTR2CHTR2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019170904-A1 PIPERIDINES OR PIPERIDONES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-09-12 WO disclosed
EP-2429993-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INT (DE) 2015-01-21 EP disclosed
US-8841331-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2014-09-23 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-8338441-B2 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
WO-2010130034-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-18 WO disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
US-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2010-11-18 US disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 EP disclosed
US-5206129-A Coupling reaction with oxidized species of primary aromatic amine derivative; improved color reproduction FUJI PHOTO FILM CO., LTD. (JP) 1993-04-27 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 (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-20100292227-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION RTF2, REV1, RTF1 SMARCA2 1841/4885SMARCA4 1535/4885HTR2C 4360/4885

“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.