SCHEMBL9918342

SCHEMBL9918342

CC(C)c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
EPHX2 P34913 1/20 0.53
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 3/20 0.42
GFER P55789 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL15586614 0.89 EPHX2 (0.63) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL25889043 0.84 HDAC1 (0.53) HTTALDH1A1LMNAEPHX2HPGD
SCHEMBL9918334 0.81 NOX1 (0.38) HTTALDH1A1LMNAEPHX2HPGD
SCHEMBL434490 0.78 EPHX2 (0.77) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL11383890 0.78 ALDH1A1 (0.48) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL10509516 0.75 HTT (0.59) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL7454625 0.75 HTT (0.59) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL30199790 0.75 HTT (0.59) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL3601956 0.75 HTT (0.59) HTTALDH1A1LMNAEPHX2MAOA
SCHEMBL1332876 0.75 HTT (0.59) HTTALDH1A1LMNAEPHX2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2021-02-25 US disclosed
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents Bugworks Research, Inc. (US) 2020-07-14 US disclosed
US-10543223-B2 Mannose derivatives useful for treating pathologies associated with adherent E. coli ENTEROME (FR) 2020-01-28 US disclosed
US-20190292199-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION Bugworks Research, Inc. 2019-09-26 US disclosed
WO-2019145919-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS CADILA HEALTHCARE LIMITED (IN) 2019-08-01 WO disclosed
WO-2017021549-A1 MANNOSE DERIVATIVES USEFUL FOR TREATING PATHOLOGIES ASSOCIATED WITH ADHERENT E. COLI ENTEROME (FR) 2017-02-09 WO disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
EP-2699579-B1 PYRAZOLO[4,3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-10-07 EP disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (7 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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 HTT 4733/4885ALDH1A1 1632/4885LMNA 4792/4885
US-20190292199-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTI-BACTERIAL AGENTS AND METHOD FOR PRODUCTION ALPI, UROD, HLA-C HTT 574/4885ALDH1A1 1285/4885LMNA 1549/4885
US-10543223-B2 Mannose derivatives useful for treating pathologies associated with adherent E. coli FPR3, CCR3, RXFP3 HTT 4282/4885ALDH1A1 2484/4885LMNA 4182/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA HTT 2577/4885ALDH1A1 2674/4885LMNA 1872/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 HTT 4142/4885ALDH1A1 1507/4885LMNA 4638/4885
US-20210052597-A1 HETEROCYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS ABCB11, DHPS, MRPL21 HTT 3609/4885ALDH1A1 171/4885LMNA 4636/4885
US-10711011-B2 Substituted oxazolidines as anti-bacterial agents ALPI, HLA-A, HLA-B HTT 2061/4885ALDH1A1 568/4885LMNA 2797/4885

“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.