SCHEMBL2992976

SCHEMBL2992976

CN(C)/C=C/C(=O)c1ccc(C(c2ccc(OCc3ccccn3)cc2)C(C)(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
PARP10 Q53GL7 1/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
MAOB P27338 1/20 0.45
HPGD P15428 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.42
ALOX5 P09917 1/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL2992983 1.00 KMT2A (0.54) KMT2AMAPTHTTGAALMNA
SCHEMBL3001624 0.85 KMT2A (0.53) KMT2AMAPTHTTGAALMNA
SCHEMBL3001620 0.85 KMT2A (0.53) KMT2AMAPTHTTGAALMNA
SCHEMBL2992851 0.83 PARP10 (0.57) HTTPARP10ALDH1A1SMN1; SMN2NPC1
SCHEMBL2251349 0.83 PARP10 (0.57) PARP10ALDH1A1SMN1; SMN2MAOBHPGD
SCHEMBL2253252 0.82 PARP10 (0.74) PARP10ALDH1A1SMN1; SMN2MAOBHPGD
SCHEMBL2995985 0.82 PARP10 (0.51) KMT2APARP10ALDH1A1SMN1; SMN2NPC1
SCHEMBL2250280 0.81 PARP10 (0.55) KMT2AMAPTPARP10ALDH1A1SMN1; SMN2
SCHEMBL12356701 0.81 PARP10 (0.55) KMT2AMAPTPARP10ALDH1A1SMN1; SMN2
SCHEMBL2986740 0.80 PARP10 (0.57) KMT2AMAPTPARP10ALDH1A1HPGD

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US claimed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO claimed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 KMT2A 4281/4885MAPT 4788/4885HTT 4468/4885

“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.