SCHEMBL14874538

SCHEMBL14874538

Cc1nnc(/C=C/c2ccc([N+](=O)[O-])cc2)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.53
▸ MAPT P10636 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ APP P05067 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ FBP1 P09467 1/20 0.47
▸ PTGS2 P35354 6/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ CYP19A1 P11511 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL14874539 1.00 METAP2 (0.53) METAP2MAPTRAB9ANPC1APP
SCHEMBL11133083 0.89 MAPT (0.61) METAP2MAPTRAB9ANPC1APP
SCHEMBL11133082 0.89 MAPT (0.61) METAP2MAPTRAB9ANPC1APP
SCHEMBL12918717 0.79 KDM4E (0.67) MAPTRAB9ANPC1SMN1; SMN2PTGS2
SCHEMBL31385202 0.78 METAP2 (0.50) METAP2MAPTRAB9ANPC1APP
SCHEMBL8956458 0.78 METAP2 (0.50) METAP2MAPTRAB9ANPC1APP
SCHEMBL9003171 0.77 HPGD (0.59) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL13863980 0.77 KDM4E (0.51) METAP2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL458177 0.76 APP (0.78) MAPTRAB9ANPC1APPSMN1; SMN2
SCHEMBL458178 0.76 APP (0.78) MAPTRAB9ANPC1APPSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583965-B1 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 — — EP disclosed
US-8937055-B2 Heterocyclic ring compound having muscle cell or adipocyte differentiation regulating action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-20 — — US disclosed
US-20130296276-A2 HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-07 — — US disclosed
US-20130116214-A1 HETEROCYCLIC RING COMPOUND UJIKAWA OSAMU (JP) 2013-05-09 — — US disclosed
EP-2583965-A1 HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-04-24 — — EP 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 (2 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-20130116214-A1 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 METAP2 3426/4885MAPT 4679/4885RAB9A 2276/4885
US-20130296276-A2 HETEROCYCLIC RING COMPOUND FABP4, CPT1B, GPR119 METAP2 3426/4885MAPT 4679/4885RAB9A 2276/4885

“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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