SCHEMBL3015889

SCHEMBL3015889

O=C(CCl)Cc1ccccc1Br

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MAPK8 P45983 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
IDO1 P14902 1/20 0.39
GLS O94925 1/20 0.39
RIPK1 Q13546 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39

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
SCHEMBL1449282 0.87 CA12 (0.47) CA12CA1CA2CA9SIGMAR1
SCHEMBL4644359 0.82 CA12 (0.45) CA12CA1CA2CA9SIGMAR1
SCHEMBL6222569 0.82 MAPK8 (0.40) CA12CA1CA2CA9SIGMAR1
SCHEMBL8861870 0.80 CTBP2 (0.51) PPARGPPARATAAR1MAPK8HTT
SCHEMBL6507429 0.80 TAAR1 (0.50) CA12CA1CA2CA9SIGMAR1
Methylene Chloride SCHEMBL28048399 0.80 AKR1B1 (0.55) CA12CA1CA2CA9PPARG
SCHEMBL18620834 0.80 RIPK1 (0.46) CA12CA1CA2CA9TAAR1
SCHEMBL31291159 0.79 CA12 (0.45) CA12CA1CA2CA9PPARG
SCHEMBL310967 0.79 CA12 (0.45) CA12CA1CA2CA9PPARG
SCHEMBL1778391 0.79 CA12 (0.47) CA12CA1CA2CA9SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CA12 4565/4885CA1 4809/4885CA2 4515/4885

“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.