SCHEMBL6714580

SCHEMBL6714580

COc1nccc(C)c1NC(=O)c1cccnc1NC1CC1CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 5/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDR P35968 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
DHODH Q02127 3/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CNR2 P34972 1/20 0.36
TOP1 P11387 1/20 0.35
SSTR4 P31391 1/20 0.35

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
SCHEMBL30435397 0.84 KMT2A (0.44) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL445410 0.84 KMT2A (0.44) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL6714575 0.74 NPC1 (0.48) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL28320641 0.73 ALDH1A1 (0.50) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL14309698 0.71 KMT2A (0.46) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL1923555 0.69 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30434727 0.69 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30434880 0.69 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL14031772 0.68 KMT2A (0.42) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30954726 0.67 KMT2A (0.41) KMT2AL3MBTL1MEN1MAPTGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
WO-1999064048-A9 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE INC (US) 2000-07-20 WO disclosed
EP-1003541-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE Advanced Medicine, Inc. (US) 2000-05-31 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064048-A1 INHIBITORS OF HIV REVERSE TRANSCRIPTASE ADVANCED MEDICINE, INC. (US) 1999-12-16 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 KMT2A 3736/4885L3MBTL1 3638/4885MEN1 4338/4885

“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.