SCHEMBL7932262

SCHEMBL7932262

O=C(CS)NCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.55
P2RX7 Q99572 1/20 0.49
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
WDR5 P61964 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL31248396 0.82 TACR1 (0.57) TACR1P2RX7ERCC1ERCC4MEN1
SCHEMBL17513342 0.81 TACR1 (0.59) TACR1P2RX7ERCC1ERCC4MEN1
SCHEMBL7932170 0.81 KMT2A (0.66) ERCC1ERCC4MEN1KMT2ANPC1
SCHEMBL8310876 0.81 TACR1 (0.55) TACR1P2RX7ERCC1ERCC4MEN1
SCHEMBL17513378 0.78 TACR1 (0.56) TACR1P2RX7MEN1KMT2AALDH1A1
SCHEMBL11121464 0.78 TACR1 (0.56) TACR1P2RX7MEN1KMT2AWDR5
SCHEMBL23135792 0.77 P2RX7 (0.52) TACR1P2RX7MEN1KMT2AALDH1A1
SCHEMBL7937579 0.77 TSHR (0.63) P2RX7MEN1KMT2AALDH1A1HPGD
SCHEMBL626342 0.76 CYP2C9 (0.66) TACR1P2RX7MEN1KMT2AWDR5
SCHEMBL4068730 0.76 TACR1 (0.50) TACR1P2RX7MEN1KMT2ARAB9A

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 4 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-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
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

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 TACR1 2477/4885P2RX7 3628/4885ERCC1 2534/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TACR1 146/4885P2RX7 969/4885ERCC1 4122/4885

“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.