SCHEMBL4030382

SCHEMBL4030382

CSc1ccc(C(O)c2ccc(C)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP17A1 P05093 1/20 0.35
ALOX5 P09917 3/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NPC1 O15118 1/20 0.33
GBA1 P04062 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33

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
SCHEMBL116107 0.81 ALOX5 (0.37) SMN1; SMN2SLC6A4CYP17A1ALOX5CYP2C19
SCHEMBL6182478 0.81 SLC6A4 (0.50) SLC6A4ALDH1A1ALOX5ACACBAKR1C3
SCHEMBL14511065 0.80 SMN1; SMN2 (0.58) LMNASMN1; SMN2ALDH1A1CYP17A1CYP2C19
SCHEMBL15854871 0.77 SLC6A4 (0.44) MEN1KMT2ASLC6A4ALDH1A1ALOX5
SCHEMBL6119422 0.76 ALDH1A1 (0.38) MEN1LMNAKMT2ASLC6A4ALDH1A1
SCHEMBL27952688 0.75 MEN1 (0.38) MEN1LMNAKMT2ASMN1; SMN2SLC6A4
SCHEMBL30467058 0.75 LMNA (0.40) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL31201731 0.75 LMNA (0.40) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL17154813 0.75 LMNA (0.40) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL961068 0.75 LMNA (0.40) MEN1LMNAKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363635-B1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO INC (US) 2009-04-15 EP disclosed
US-6740666-B2 FOR THERAPY OF ASTHMA, CHRONIC BRONCHITIS, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, EOSINOPHILIC GRANULOMA, PSORIASIS; SEPTIC SHOCK, ULCERATIVE COLITIS, CROHN'S DISEASE, REPERFUSION INJURY OF THE MYOCARDIUM AND BRAIN, INFLAMMATION MERCK & CO., INC. 2004-05-25 US disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-10-03 US disclosed
EP-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP disclosed
WO-2002069970-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO., INC. (US) 2002-09-12 WO disclosed
US-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors MERCK FROSST CANADA LTD. (CA) 2002-08-01 US disclosed
US-6410563-B1 RESPIRATORY SYSTEM DISORDERS; ANTIARTHRITIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-06-25 US disclosed
WO-2001046151-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 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 (2 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-20020103226-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE4C MEN1 3969/4885LMNA 3212/4885KMT2A 417/4885
US-20020143032-A1 Substituted 8-arylquinoline phosphodiesterase-4 inhibitors PDE4A, PDE4B, PDE12 MEN1 4357/4885LMNA 4364/4885KMT2A 1337/4885

“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.