SCHEMBL4020908

SCHEMBL4020908

CNCc1cc2cc(OCc3ccccc3)ccc2n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MAOB P27338 6/20 0.60
▸ MAOA P21397 5/20 0.60
▸ SRD5A2 P31213 1/20 0.60
▸ ALOX5 P09917 1/20 0.50
▸ AS3MT Q9HBK9 1/20 0.48
▸ ROCK1 Q13464 1/20 0.46

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
SCHEMBL21245926 0.77 KMT2A (0.71) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL4023414 0.77 SRD5A2 (0.78) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL4464733 0.76 SRD5A2 (0.81) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL6846786 0.76 MAOA (0.80) MAOBMAOA
SCHEMBL4470968 0.75 SRD5A2 (1.00) MEN1NPC1RAB9AKMT2ASRD5A2
SCHEMBL5671185 0.75 MEN1 (0.67) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL19559063 0.74 MEN1 (0.66) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL5670245 0.74 MEN1 (0.66) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL17558914 0.74 NPC1 (0.66) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL5670247 0.74 MEN1 (0.66) MEN1NPC1RAB9AKMT2AMAOB

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
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 — — EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 — — EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 — — US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 — — US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 — — US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 — — EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 — — 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 MEN1 3548/4885NPC1 202/4885RAB9A 2967/4885

“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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