SCHEMBL3004131

SCHEMBL3004131

CCn1nnc(-c2ccc(C(C)(c3ccc(C(Cc4ccccn4)OC(F)(F)F)cc3)C(C)C)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALOX5AP P20292 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPY1R P25929 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPY2R P49146 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CASP3 P42574 1/20 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
SCHEMBL2988798 0.90 LMNA (0.41) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2997799 0.89 LMNA (0.41) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL13248554 0.86 LMNA (0.43) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2991258 0.84 LMNA (0.43) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2243764 0.81 ALOX5AP (0.53) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL3001003 0.73 AOC3 (0.46) LMNASMN1; SMN2NPC1RAB9AALOX5AP
SCHEMBL3000463 0.70 LMNA (0.38) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2245990 0.70 ALOX5AP (0.54) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL2245019 0.70 NPC1 (0.47) LMNASMN1; SMN2TP53NPC1RAB9A
SCHEMBL3000148 0.67 AOC3 (0.41) LMNASMN1; SMN2NPC1RAB9AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 — — 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B LMNA 1430/4885SMN1; SMN2 4219/4885TP53 4822/4885

“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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