SCHEMBL5048949

SCHEMBL5048949

S=C(Nc1ccccc1Cl)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 7/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 3/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 1/20 0.53
MIF P14174 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX12 P18054 1/20 0.51
GAA P10253 1/20 0.50

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
SCHEMBL11920151 0.85 GAA (0.67) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL29635527 0.83 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5450559 0.83 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL29635526 0.83 ALDH1A1 (0.77) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL8587474 0.81 ALDH1A1 (0.62) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5458132 0.79 RAB9A (0.75) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL5446693 0.78 MAPK1 (0.75) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL9128579 0.77 HPGD (0.53) RAB9ANPC1ALDH1A1KDM4EMEN1
SCHEMBL5430219 0.76 ALDH1A1 (1.00) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL21595530 0.76 ALDH1A1 (0.56) RAB9ANPC1ALDH1A1MAPTLMNA

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-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
CN-100360527-C CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-01-09 CN disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
CN-1735611-A CB 1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
CN-1054803-C Polycarbonic acid ester resin layered products absorbing near-infrared and formed products made of same DAICEL CHEM (JP) 2000-07-26 CN disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN 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-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R RAB9A 1009/4885NPC1 500/4885ALDH1A1 959/4885

“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.