SCHEMBL1590940

SCHEMBL1590940

CCCCCCCCCCCCCCCCCCOc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
SMPD1 P17405 3/20 0.57
ALDH1A1 P00352 3/20 0.56
MAPT P10636 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 3/20 0.52
MAOB P27338 2/20 0.51
LTA4H P09960 1/20 0.51
PLA2G4B P0C869 2/20 0.51
LMNA P02545 1/20 0.51
NOS1 P29475 1/20 0.51
HMOX2 P30519 1/20 0.51

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
SCHEMBL1591503 1.00 TSHR (0.65) TSHRSMPD1ALDH1A1MAPTKMT2A
SCHEMBL3683494 1.00 TSHR (0.65) TSHRSMPD1ALDH1A1MAPTKMT2A
SCHEMBL13828553 1.00 TSHR (0.65) TSHRSMPD1ALDH1A1MAPTKMT2A
SCHEMBL2623452 1.00 TSHR (0.65) TSHRSMPD1ALDH1A1MAPTKMT2A
SCHEMBL2570157 0.98 TSHR (0.62) TSHRSMPD1ALDH1A1MAPTKMT2A
SCHEMBL4194351 0.93 ALDH1A1 (0.55) TSHRALDH1A1MAPTKMT2AKDM4E
SCHEMBL2801030 0.91 MAOB (0.60) ALDH1A1MAPTKMT2AKDM4EMAOB
SCHEMBL1438757 0.87 MAOB (0.56) ALDH1A1MAPTKMT2AKDM4EMAOB
SCHEMBL6677146 0.87 TSHR (0.76) TSHRSMPD1LTA4HPLA2G4B
SCHEMBL4208924 0.87 TSHR (0.76) TSHRSMPD1LTA4HPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240449-B1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NAT RECH SCIENT (FR) 2016-01-06 EP disclosed
US-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 US disclosed
US-8710073-B2 Anti-infective derivatives, method for the production thereof, pharmaceutical compositions containing same and uses of said derivatives in treatment CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-04-29 US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 US disclosed
US-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFOQUE (C.N. (FR) 2011-04-21 US disclosed
EP-2240449-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT Centre National de la Recherche Scientifique - CNRS (FR) 2010-10-20 EP disclosed
WO-2009101345-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2009-08-20 WO disclosed
WO-2009101345-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2009-08-20 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-20110092536-A1 NOVEL ANTI-INFECTIOUS DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES OF SAID DERIVATIVES IN TREATMENT DHFR, COASY, QDPR TSHR 3057/4885SMPD1 495/4885ALDH1A1 892/4885

“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.