SCHEMBL1734922

SCHEMBL1734922

Nc1ccc(-c2nc3cc(Cl)ccc3o2)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ NFKB1 P19838 2/20 0.61
▸ NFKB2 Q00653 2/20 0.61
▸ RELA Q04206 2/20 0.61
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ CYP1A2 P05177 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CASP3 P42574 5/20 0.60
▸ SENP7 Q9BQF6 4/20 0.60
▸ SENP6 Q9GZR1 2/20 0.60
▸ THRB P10828 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ ALOX15 P16050 1/20 0.54

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
SCHEMBL2242348 0.89 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL25624847 0.83 NPC1 (0.53) KDM4EALDH1A1SMN1; SMN2HPGDNFKB1
SCHEMBL1734841 0.82 NPC1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL29622897 0.82 NPC1 (0.76) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL23748392 0.81 NPC1 (0.73) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL19664249 0.81 NPC1 (0.52) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12997104 0.79 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2251225 0.76 RAB9A (0.81) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL23748361 0.76 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL9115618 0.76 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954287-B2 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-02-24 — — EP disclosed
US-8334290-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 — — US disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 — — EP disclosed
US-20110262658-A1 PROCESS AND DEVICE FOR TREATING THE COATING OF THERMOPLASTIC RESIN CONTAINERS ZOPPAS MATTEO 2011-10-27 — — US disclosed
US-20090264405-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-10-22 — — US disclosed
EP-1954287-A2 CETP INHIBITORS Merck & Co., Inc. (US) 2008-08-13 — — EP disclosed
WO-2007070173-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-06-21 — — 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-20090264405-A1 Cetp Inhibitors CETP, APOB, PCSK9 KDM4E 3316/4885ALDH1A1 3312/4885SMN1; SMN2 4780/4885

“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.

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