SCHEMBL3762407

SCHEMBL3762407

CC(C)=CCC/C(C)=C/COC(Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 12/20 0.65
CYP2C9 P11712 8/20 0.65
CYP3A4 P08684 6/20 0.65
LMNA P02545 5/20 0.65
CYP1A2 P05177 5/20 0.65
CYP2D6 P10635 5/20 0.65
CYP2C19 P33261 5/20 0.65
MEN1 O00255 3/20 0.65
ALOX15 P16050 3/20 0.65
TSHR P16473 3/20 0.65
KMT2A Q03164 3/20 0.65
NR1I2 O75469 3/20 0.59
NR3C1 P04150 3/20 0.59
CYP17A1 P05093 3/20 0.59
PGR P06401 3/20 0.59
ADRB1 P08588 3/20 0.59
ADORA3 P0DMS8 3/20 0.59
DRD2 P14416 3/20 0.59
SLC6A2 P23975 3/20 0.59
SLC6A4 P31645 3/20 0.59

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
SCHEMBL9363001 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9362738 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL3762416 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9362735 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9821457 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9821450 1.00 IDO1 (0.65) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9363034 0.82 CYP2C9 (0.58) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9362974 0.82 ADRA2C (0.52) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9363028 0.82 CYP2C9 (0.58) IDO1CYP2C9CYP3A4LMNACYP1A2
SCHEMBL9362972 0.82 ADRA2C (0.52) IDO1CYP2C9CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3264563-A None JP disclosed
US-8680270-B2 Metallo-oxidoreductase inhibitors using metal binding moieties in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
EP-2086546-B1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS INC (US) 2013-07-10 EP disclosed
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
EP-2086546-A2 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES Viamet Pharmaceuticals, Inc. (US) 2009-08-12 EP disclosed
WO-2008064311-A2 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed
EP-0427242-B1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORP (JP) 1994-09-21 EP disclosed
US-5183824-A Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1993-02-02 US disclosed
US-5110826-A AZOLE DERIVATIVES AND ANTIFUNGAL DRUGS CONTAINING THE SAME AS AN ACTIVE COMPONENT KAO CORPORATION (JP) 1992-05-05 US disclosed
JP-H03264563-A AZOLE DERIVATIVE KAO CORP 1991-11-25 JP disclosed
EP-0427242-A1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1991-05-15 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 (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-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 IDO1 1150/4885CYP2C9 2922/4885CYP3A4 1878/4885

“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.