SCHEMBL18286248

SCHEMBL18286248

O=C(c1cnc(NC2(c3cncnc3)CC2)nc1)c1cccc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 19/20 1.00
BTD P43251 1/20 0.68
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62

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
SCHEMBL20185850 0.90 VNN1 (1.00) VNN1BTDHDAC3HDAC1HDAC2
SCHEMBL20185763 0.89 VNN1 (1.00) VNN1HDAC3HDAC1HDAC2HDAC6
SCHEMBL21381210 0.85 VNN1 (0.74) VNN1BTDHDAC3HDAC1HDAC2
SCHEMBL20185780 0.84 VNN1 (1.00) VNN1BTD
SCHEMBL20185765 0.84 VNN1 (1.00) VNN1BTD
SCHEMBL18286249 0.82 VNN1 (1.00) VNN1BTD
SCHEMBL18286265 0.81 VNN1 (1.00) VNN1BTD
SCHEMBL18286263 0.81 VNN1 (1.00) VNN1BTDHDAC3HDAC1HDAC2
SCHEMBL20185849 0.80 VNN1 (1.00) VNN1BTD
SCHEMBL20185816 0.78 VNN1 (1.00) VNN1

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 14 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 claimed
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme PFIZER INC. (US) 2019-06-04 US claimed
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2018-05-31 US claimed
EP-3303303-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME Pfizer Inc (US) 2018-04-11 EP claimed
WO-2016193844-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME PFIZER INC. (US) 2016-12-08 WO claimed
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

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 VNN1 1/4885BTD 97/4885HDAC3 1227/4885
US-10308615-B2 Heterocyclic compounds as inhibitors of Vanin-1 enzyme VNN1, MVD, VAT1 VNN1 1/4885BTD 121/4885HDAC3 1146/4885
US-20180148420-A1 NOVEL HETEROCYCLIC COMPOUNDS AS INHIBITORS OF VANIN-1 ENZYME VNN1, CMA1, VAT1 VNN1 1/4885BTD 181/4885HDAC3 1537/4885

“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.