SCHEMBL3368384

SCHEMBL3368384

CN(C)CCCC#Cc1ccc(N(C)C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LSS P48449 4/20 0.44
LIPE Q05469 4/20 0.43
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3365632 0.82 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL7192259 0.81 KCNH2 (0.49) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL3365364 0.79 PAX8 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL3365485 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL3365570 0.73 SMN1; SMN2 (0.68) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL3366751 0.72 SMN1; SMN2 (0.60) SMN1; SMN2MAPTLMNAL3MBTL1LIPE
SCHEMBL3369187 0.72 MAPT (0.53) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL7201224 0.71 SMN1; SMN2 (0.52) SMN1; SMN2MAPTLMNAL3MBTL1LSS
SCHEMBL4801624 0.70 LSS (0.81) LMNAL3MBTL1LSSCYP1A2CYP3A4
SCHEMBL4801628 0.70 LSS (0.81) LMNAL3MBTL1LSSCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP claimed
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 claimed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-20020038025-A1 Analine derivatives as OSC inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-03-28 US claimed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO claimed
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.