SCHEMBL1303063

SCHEMBL1303063

COC(=O)c1ccc(-c2nc(-c3ccccn3)n(C)c2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
TGFBR1 P36897 1/20 0.45
RAF1 P04049 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
FGFR1 P11362 1/20 0.42
CASP1 P29466 1/20 0.42
MAPK1 P28482 1/20 0.42
GABRA5 P31644 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL1303493 0.87 TGFBR1 (0.48) KDM4EALDH1A1HPGDTGFBR1NPC1
SCHEMBL1303896 0.85 HPGDS (0.42) MAPTALDH1A1NPC1ADORA2AMAPK14
SCHEMBL12106219 0.82 FAAH (0.64) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL1303868 0.80 HDAC4 (0.44) SMN1; SMN2HPGDNPC1MAPK1GABRA5
SCHEMBL1302416 0.79 ALDH1A1 (0.51) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL30772298 0.78 TGFBR1 (0.60) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL6259 0.78 TGFBR1 (0.60) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL1429613 0.75 RAF1 (0.53) KDM4EPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL30158985 0.75 NPC1 (0.61) KDM4EMAPTNPC1FGFR1GRM5
SCHEMBL10020883 0.74 KDM4E (0.57) KDM4EPOLBMAPTALDH1A1SMN1; SMN2

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
US-8455528-B2 Imidazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-11-03 US disclosed
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed
WO-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 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-20110269769-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, HNMT KDM4E 534/4885POLB 4577/4885MAPT 657/4885

“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.