SCHEMBL947445

SCHEMBL947445

C=CS(=O)(=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
MDM2 Q00987 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPAS1 Q99814 1/20 0.45
CYP2A6 P11509 1/20 0.42
CYP3A4 P08684 1/20 0.39
F10 P00742 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL11330621 0.81 LMNA (0.57) ALDH1A1MAPK1LMNANPC1TP53
SCHEMBL4300190 0.80 ALDH1A1 (0.59) ALDH1A1MAPK1LMNANPC1TP53
SCHEMBL3874186 0.79 SNCA (0.51) ALDH1A1MAPK1LMNATSHRHSD17B10
SCHEMBL5518615 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1LMNAHSD17B10CYP2A6
SCHEMBL9844392 0.78 ALDH1A1 (0.48) ALDH1A1MAPK1LMNANPC1TP53
Hydrochloric Acid SCHEMBL27507014 0.77 SNCA (0.50) ALDH1A1MAPK1LMNAHSD17B10CYP2A6
SCHEMBL791522 0.76 CYP2A6 (0.48) ALDH1A1MAPK1LMNAHSD17B10CYP2A6
SCHEMBL7010867 0.75 BRAF (0.44) CYP2A6F10KAT6ANFE2L2
SCHEMBL7010862 0.75 BRAF (0.44) CYP2A6F10KAT6ANFE2L2
SCHEMBL8257464 0.75 LMNA (0.64) LMNACYP2A6CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 ALDH1A1 2246/4885MAPK1 1855/4885LMNA 2660/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 ALDH1A1 2316/4885MAPK1 1718/4885LMNA 2787/4885

“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.