SCHEMBL13902771

SCHEMBL13902771

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nn[nH]n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ CXCR3 P49682 1/20 0.48
▸ XDH P47989 2/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ PDE3A Q14432 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM2 Q14416 1/20 0.41

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
SCHEMBL14942350 0.90 KMT2A (0.45) KMT2ATP53ALDH1A1CXCR3XDH
Ammonia Solution, Strong SCHEMBL480417 0.89 KMT2A (0.44) KMT2ATP53ALDH1A1CXCR3XDH
SCHEMBL3002189 0.82 ALOX5AP (0.43) ALDH1A1CYP19A1CYP2C9NPC1RAB9A
SCHEMBL2246698 0.81 DHODH (0.41) ALDH1A1CYP2C9
SCHEMBL2997210 0.81 HPGD (0.42) ALDH1A1CYP2C9
SCHEMBL2246846 0.80 NPC1 (0.53) TP53ALDH1A1CYP19A1CYP2C9LMNA
SCHEMBL2245019 0.79 NPC1 (0.47) KMT2ATP53CYP2C9CYP2C19LMNA
SCHEMBL13248546 0.78 PARP10 (0.49) ALDH1A1CYP2C9RAB9AL3MBTL1
SCHEMBL13248543 0.78 DHODH (0.43) ALDH1A1CYP2C9
SCHEMBL2994400 0.78 RAB9A (0.43) ALDH1A1LMNANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814877-B1 DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIBITORS MERCK & CO INC (US) 2009-03-11 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — WO disclosed
US-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors MERCK SHARP & DOHME CORP. 2007-12-13 — — US 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-20070287736-A1 Diphenyl Substituted Alkanes as Flap Inhibitors ALOX5, ALOX15, ALOX15B KMT2A 4210/4885TP53 4533/4885ALDH1A1 201/4885

“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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