SCHEMBL3499056

SCHEMBL3499056

Cc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACP1 P24666 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ TOP1 P11387 2/20 0.57
▸ AHR P35869 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ HCRTR1 O43613 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TRPV1 Q8NER1 4/20 0.52
▸ THRB P10828 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TNKS O95271 1/20 0.50
▸ WNT3A P56704 1/20 0.50
▸ TNKS2 Q9H2K2 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
SCHEMBL710469 0.85 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL951744 0.85 MAPT (0.65) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25171878 0.84 TOP1 (0.68) ACP1ALDH1A1MAPTTOP1KDM4E
SCHEMBL12525154 0.84 ALDH1A1 (0.61) ACP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL26456461 0.83 ALDH1A1 (0.64) ACP1ALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL6859623 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30388558 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17600557 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL30946935 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27986152 0.83 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 — — US disclosed
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 — — US disclosed
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 — — US disclosed
EP-2120584-B1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2012-06-20 — — EP disclosed
EP-2120584-B1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2012-06-20 — — EP disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 — — US disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 — — US disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 — — US disclosed
WO-2008085301-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK & CO., INC. (US) 2008-07-17 — — 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-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM ACP1 3444/4885ALDH1A1 804/4885MAPT 24/4885

“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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