SCHEMBL3365180

SCHEMBL3365180

C=CCN(C)CCCCCCOc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 14/20 0.80
KCNH2 Q12809 2/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9361053 0.89 LSS (1.00) LSSKCNH2MEN1KMT2A
SCHEMBL3367024 0.88 LSS (0.73) LSSKCNH2GAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3367088 0.87 LSS (0.74) LSSKCNH2GAAALDH1A1SMN1; SMN2
SCHEMBL3365379 0.87 LSS (0.64) LSSMEN1KMT2A
SCHEMBL3364637 0.87 LSS (0.64) LSSMEN1KMT2A
SCHEMBL3365759 0.87 LSS (0.64) LSSMEN1KMT2AGAA
SCHEMBL3365325 0.86 LSS (0.78) LSSMEN1KMT2ASMN1; SMN2
SCHEMBL3365279 0.86 LSS (0.63) LSSMEN1KMT2A
SCHEMBL3363133 0.86 LSS (0.78) LSSMEN1KMT2A
SCHEMBL3366763 0.86 LSS (0.76) LSSMEN1KMT2A

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 1/4885KCNH2 1111/4885MEN1 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.