SCHEMBL16754369

SCHEMBL16754369

O=C(O)NCc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@H]2C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ GAA P10253 3/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ELANE P08246 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ SERPINE1 P05121 1/20 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
SCHEMBL16249987 0.93 KDM4E (0.41) IDH2KDM4ETRPV4TSHRKMT2A
Trifluoroacetic Acid SCHEMBL16238731 0.92 KDM4E (0.40) IDH2KDM4ETRPV4TSHRKMT2A
SCHEMBL17618885 0.92 KDM4E (0.39) IDH2KDM4ETRPV4TSHRKMT2A
SCHEMBL16249985 0.92 IDH2 (0.41) IDH2KDM4ETSHRCA2CA9
SCHEMBL16250010 0.91 CA2 (0.42) IDH2KDM4ETSHRMAPTCA2
SCHEMBL19670369 0.91 NAMPT (0.41) IDH2KDM4ETRPV4TSHRKMT2A
SCHEMBL16250024 0.91 NAMPT (0.41) IDH2KDM4ETRPV4TSHRKMT2A
SCHEMBL19669054 0.91 NAMPT (0.41) IDH2KDM4ETRPV4TSHRKMT2A
Hydrochloric Acid SCHEMBL16238734 0.90 CA2 (0.41) IDH2KDM4ETSHRMAPTCA2
SCHEMBL19862439 0.89 KMT2A (0.41) IDH2KDM4ETRPV4TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 — — EP disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 — — WO disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 42/4885KDM4E 1109/4885TRPV4 4461/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885TRPV4 4133/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885TRPV4 4133/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885KDM4E 950/4885TRPV4 4133/4885

“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.

Send feedback