SCHEMBL3000545

SCHEMBL3000545

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ NFKB1 P19838 2/20 0.50
▸ NFKB2 Q00653 2/20 0.50
▸ RELA Q04206 2/20 0.50
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 8/20 0.42
▸ TSHR P16473 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX5AP P20292 2/20 0.37

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
SCHEMBL2994401 0.84 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL3091208 0.83 TP53 (0.42) SMN1; SMN2MAPTHPGDKDM4ETP53
SCHEMBL2996124 0.77 KMT2A (0.47) SMN1; SMN2MAPTNPC1RAB9ANFKB1
SCHEMBL2992051 0.75 PDE10A (0.38) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL2997210 0.75 HPGD (0.42) SMN1; SMN2HPGDKDM4EMAPK14SMO
SCHEMBL3002623 0.75 KDM4E (0.42) SMN1; SMN2HPGDKDM4EMAPK14SMO
SCHEMBL3002189 0.74 ALOX5AP (0.43) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL2994531 0.74 ALOX5AP (0.49) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL2999919 0.74 CYP1A2 (0.40) SMN1; SMN2HPGDKDM4EADAMTS4ALOX5AP
SCHEMBL3091216 0.74 ALOX5AP (0.40) SMN1; SMN2HPGDKDM4ERXFP1POLB

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 2 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

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 SMN1; SMN2 4219/4885MAPT 4788/4885NPC1 603/4885

“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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