SCHEMBL18286281

SCHEMBL18286281

O=C(c1cnc(Cl)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.67
KCNQ2 O43526 2/20 0.67
KCNE1 P15382 2/20 0.67
KCNQ1 P51787 2/20 0.67
KCNQ5 Q9NR82 1/20 0.67
VNN1 O95497 15/20 0.61
SRD5A2 P31213 1/20 0.59
CNR1 P21554 1/20 0.56
CES2 O00748 1/20 0.56

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
SCHEMBL1237189 0.83 SRD5A2 (0.79) VNN1SRD5A2CNR1CES2
SCHEMBL27160486 0.81 SRD5A2 (0.57) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL5338598 0.80 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL5206266 0.80 KCNQ3 (0.54) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL28565479 0.80 SRD5A2 (0.73) VNN1SRD5A2CNR1CES2
SCHEMBL20185793 0.79 VNN1 (0.56) VNN1SRD5A2CNR1
SCHEMBL21390490 0.79 VNN1 (0.81) VNN1
SCHEMBL1044812 0.79 SRD5A2 (0.83) VNN1SRD5A2CNR1CES2
SCHEMBL2941622 0.77 SRD5A2 (0.81) VNN1SRD5A2CNR1CES2
SCHEMBL9002252 0.77 TSHR (0.64) VNN1SRD5A2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2019-09-26 US disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US disclosed
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP disclosed
WO-2016193844-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2016-12-08 WO disclosed
WO-2016193844-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2016-12-08 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 (3 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-20190292157-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, VAT1, CMA1 KCNQ3 3200/4885KCNQ2 2714/4885KCNE1 772/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 KCNQ3 2558/4885KCNQ2 2170/4885KCNE1 759/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 KCNQ3 2663/4885KCNQ2 2019/4885KCNE1 610/4885

“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.