SCHEMBL3365238

SCHEMBL3365238

C=CCN(C)CCCCCCOc1ccc(N(C)C(=S)Nc2cc([N+](=O)[O-])ccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.58
NPC1 O15118 1/20 0.48
KCNH2 Q12809 2/20 0.43
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3369705 0.80 LSS (0.54) LSS
SCHEMBL3365180 0.78 LSS (0.80) LSSKCNH2SMN1; SMN2
SCHEMBL3367024 0.78 LSS (0.73) LSSKCNH2SMN1; SMN2
Hydrochloric Acid SCHEMBL3367088 0.77 LSS (0.74) LSSKCNH2SMN1; SMN2
SCHEMBL3367108 0.76 LSS (0.59) LSSHPGDSMN1; SMN2
SCHEMBL3362818 0.76 LSS (0.53) LSS
SCHEMBL3364796 0.76 LSS (0.55) LSS
SCHEMBL3366679 0.76 LSS (0.50) LSSHPGDSMN1; SMN2KDM4E
SCHEMBL3368762 0.76 LSS (0.51) LSS
SCHEMBL3365301 0.76 LSS (0.51) LSSKDM4E

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 5 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
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 LSS 1/4885NPC1 117/4885KCNH2 1111/4885

“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.