SCHEMBL13435342

SCHEMBL13435342

[N-]=[N+]=NC1CCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
PDPK1 O15530 1/20 0.42
CYP11B2 P19099 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
ACP3 P15309 1/20 0.38
SRD5A1 P18405 3/20 0.37

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
SCHEMBL27470616 1.00 IDO1 (0.42) IDO1PDPK1CYP11B2SIGMAR1ACP3
SCHEMBL13926003 1.00 IDO1 (0.42) IDO1PDPK1CYP11B2SIGMAR1ACP3
SCHEMBL13974427 0.89 IDO1 (0.45) IDO1
SCHEMBL14855827 0.89 IDO1 (0.45) IDO1
SCHEMBL14644896 0.89 IDO1 (0.45) IDO1
SCHEMBL29325108 0.88 IDO1 (0.40) IDO1PDPK1SIGMAR1ACP3
SCHEMBL19435767 0.88 IDO1 (0.40) IDO1PDPK1SIGMAR1ACP3
SCHEMBL16284910 0.79 IDO1 (0.40) IDO1PDPK1CYP11B2ACP3SRD5A1
SCHEMBL2322453 0.78 IDO1 (0.48) IDO1PDPK1CYP11B2SIGMAR1SRD5A1
SCHEMBL29980773 0.78 IDO1 (0.48) IDO1PDPK1CYP11B2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
EP-1501514-B1 PROTEIN KINASE MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2012-12-19 EP disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C IDO1 2370/4885PDPK1 2836/4885CYP11B2 326/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 IDO1 358/4885PDPK1 4443/4885CYP11B2 1204/4885

“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.