SCHEMBL1143378

SCHEMBL1143378

O=C(CS)NCc1ccc(Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
ERCC1 P07992 4/20 0.59
ERCC4 Q92889 4/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
P2RX7 Q99572 5/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPK1 P28482 1/20 0.54
NLRP1 Q9C000 1/20 0.54
TSHR P16473 1/20 0.54
IDO1 P14902 1/20 0.52
EPHX2 P34913 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
SCHEMBL7934893 0.87 P2RX7 (0.53) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL1143282 0.85 ALDH1A1 (0.64) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL7925042 0.84 HSD11B1 (0.57) P2RX7LMNAMAPT
SCHEMBL7934896 0.84 ERCC1 (0.57) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL7241336 0.83 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL17914676 0.83 ALDH1A1 (0.62) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL12354898 0.82 ALDH1A1 (0.74) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL17372538 0.82 ALDH1A1 (0.61) ALDH1A1ERCC1ERCC4NPC1RAB9A
SCHEMBL1983017 0.81 HPGD (0.56) ALDH1A1P2RX7TDP1
SCHEMBL1143386 0.81 ALDH1A1 (0.59) ALDH1A1ERCC1ERCC4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
EP-2337778-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT Absolute Science, INC. (US) 2011-06-29 EP disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
EP-2190293-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES Absolute Science, INC. (US) 2010-06-02 EP disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885ERCC1 2534/4885ERCC4 706/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885ERCC1 4122/4885ERCC4 3016/4885

“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.