SCHEMBL3365485

SCHEMBL3365485

C=CCN(C)CC#Cc1ccc(N(C)C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LIPE Q05469 4/20 0.44
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SRD5A1 P18405 3/20 0.37
LSS P48449 2/20 0.36
BCL2A1 Q16548 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL7192259 0.83 KCNH2 (0.49) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL3363725 0.80 LSS (0.55) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL3364676 0.80 PAX8 (0.38) SMN1; SMN2LMNARAB9AMEN1KMT2A
SCHEMBL3365198 0.80 LSS (0.57) SMN1; SMN2MAPTLMNAL3MBTL1MEN1
SCHEMBL3368384 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL4804244 0.72 LSS (0.64) LMNAL3MBTL1LSSBCL2A1
SCHEMBL4804239 0.72 LSS (0.64) LMNAL3MBTL1LSSBCL2A1
SCHEMBL3365570 0.71 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL6018571 0.70 LSS (0.48) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL6018577 0.70 LSS (0.48) SMN1; SMN2MAPTLMNAL3MBTL1LSS

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 SMN1; SMN2 4520/4885MAPT 4861/4885LMNA 2799/4885

“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.