SCHEMBL2993222

SCHEMBL2993222

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnc(N)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ SI P14410 3/20 0.56
▸ MGAM2 Q2M2H8 3/20 0.56
▸ KDM4E B2RXH2 6/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ TP53 P04637 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PARP10 Q53GL7 1/20 0.40
▸ QPCT Q16769 1/20 0.40
▸ QPCTL Q9NXS2 1/20 0.40
▸ ALOX5AP P20292 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.39

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
SCHEMBL13248546 0.82 PARP10 (0.49) GAAKDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL2990181 0.80 MAPK14 (0.54) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2245993 0.79 KDM4E (0.50) GAAKDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL13248543 0.79 DHODH (0.43) KDM4ESMN1; SMN2ALDH1A1HPGDPARP10
SCHEMBL3005551 0.78 MAOB (0.47) KDM4ESMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL3002189 0.77 ALOX5AP (0.43) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL2994531 0.77 ALOX5AP (0.49) KDM4ESMN1; SMN2RAB9ANPC1MAPT
SCHEMBL13902762 0.76 SYK (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDPARP10
SCHEMBL2246698 0.76 DHODH (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDPARP10
SCHEMBL13902771 0.76 KMT2A (0.53) RAB9ANPC1TP53LMNAL3MBTL1

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 6 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
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 MGAM 4113/4885GAA 1377/4885SI 3761/4885

“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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