SCHEMBL19706053

SCHEMBL19706053

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 10/20 0.39
▸ SPHK2 Q9NRA0 3/20 0.35
▸ SPHK1 Q9NYA1 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL19706172 0.87 IDH2 (0.40) IDH2MAPTBTKKDM1AKDM4E
SCHEMBL16250010 0.83 CA2 (0.42) IDH2MAPTKDM4E
Hydrochloric Acid SCHEMBL16238734 0.82 CA2 (0.41) IDH2MAPTBTKKDM4E
SCHEMBL19706045 0.81 IDH2 (0.35) IDH2SPHK2SPHK1KDM1ACNR2
SCHEMBL19670200 0.80 FAAH (0.36) IDH2BTKKDM4E
SCHEMBL19706685 0.80 IDH2 (0.41) IDH2KDM1ACNR2
SCHEMBL19706975 0.79 IDH2 (0.36) IDH2KDM1A
SCHEMBL19706095 0.79 CHRM3 (0.41) IDH2CNR2
SCHEMBL17618878 0.79 IDH2 (0.42) IDH2MAPTKDM4E
SCHEMBL19706914 0.78 IDH2 (0.38) IDH2KDM1ACNR2

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 2 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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH2 34/4885SPHK2 2797/4885SPHK1 2548/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 IDH2 34/4885SPHK2 2797/4885SPHK1 2548/4885

“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.

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