SCHEMBL126573

SCHEMBL126573

N#C/C=C(/c1ccccc1)c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.54
CYP19A1 P11511 1/20 0.53
CYP11B2 P19099 1/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
POLB P06746 1/20 0.49
TBXA2R P21731 1/20 0.48
ALDH1A1 P00352 1/20 0.47
APP P05067 1/20 0.47
GAA P10253 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47

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
SCHEMBL24704163 1.00 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B2PDE4APDE4B
SCHEMBL126574 1.00 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B2PDE4APDE4B
SCHEMBL24704165 0.95 POLB (0.53) TBXAS1CYP19A1CYP11B2PDE4APDE4B
SCHEMBL24704167 0.84 PDE4A (0.56) TBXAS1CYP19A1CYP11B2PDE4APDE4B
SCHEMBL127735 0.84 PDE4A (0.56) TBXAS1CYP19A1CYP11B2PDE4APDE4B
SCHEMBL127734 0.84 PDE4A (0.56) TBXAS1CYP19A1CYP11B2PDE4APDE4B
Benzene SCHEMBL28266121 0.83 PDE4A (0.67) CYP19A1CYP11B2PDE4APDE4BPDE4C
SCHEMBL247446 0.83 PDE4A (0.67) CYP19A1CYP11B2PDE4APDE4BPDE4C
SCHEMBL15131514 0.82 POLB (0.51) TBXAS1CYP19A1CYP11B2POLBALDH1A1
SCHEMBL27481022 0.81 POLB (0.50) TBXAS1CYP19A1CYP11B2POLBALDH1A1

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
WO-2022255228-A1 COMPOSITION, CURED PRODUCT OR COMPACT, OPTICAL MEMBER, AND LENS 富士フイルム株式会社 2022-12-08 WO disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 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 (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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 TBXAS1 1105/4885CYP19A1 1089/4885CYP11B2 399/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS TBXAS1 1663/4885CYP19A1 2279/4885CYP11B2 1208/4885

“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.