SCHEMBL3365072

SCHEMBL3365072

CN(c1ccc(OCCCCCCN2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3362441 0.91 HRH3 (0.64) HRH3MEN1KMT2A
SCHEMBL3364822 0.90 KDM4E (0.63) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL3368497 0.90 HRH3 (0.55) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL3368422 0.90 HRH3 (0.53) HRH3
SCHEMBL3367135 0.90 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL3365222 0.90 HRH3 (0.66) HRH3MEN1KMT2A
SCHEMBL3369182 0.88 HRH3 (0.51) HRH3
SCHEMBL3369730 0.87 EPHX2 (0.56) HRH3EPHX2MEN1NPC1RAB9A
SCHEMBL3366911 0.86 PGR (0.51) HRH3
SCHEMBL3365730 0.86 HRH3 (0.56) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
CN-1443179-A Aniline derivatives HOFFMANN LA ROCHE (CH) 2003-09-17 CN disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 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-20020038025-A1 Analine derivatives as OSC inhibitors LSS, CYP51A1, CYP46A1 HRH3 3372/4885EPHX2 2689/4885MEN1 615/4885

“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.