SCHEMBL19365705

SCHEMBL19365705

COc1cc(NC(=O)N(c2nc(-c3cccc(N(C)C)c3)ccc2N)C2CCCCC2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 4/20 0.38
▸ FAAH O00519 1/20 0.36
▸ FGFR4 P22455 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 1/20 0.33
▸ FYN P06241 1/20 0.33

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
SCHEMBL19365311 0.90 CNR2 (0.39) MAP4K4FAAHFGFR4KCNH2CYP2C9
SCHEMBL19670449 0.88 KDR (0.40) FAAHALDH1A1RAB9AMEN1KMT2A
SCHEMBL19365374 0.88 MCHR1 (0.41) FAAHFGFR4KCNH2CYP2C9ALOX5AP
SCHEMBL19365450 0.87 HDAC1 (0.41) FAAHFGFR4KCNH2CYP2C9ALOX5AP
SCHEMBL19365577 0.85 GRM5 (0.38) SMN1; SMN2HDAC8ALDH1A1KMT2A
SCHEMBL19365497 0.85 ALOX5AP (0.40) FAAHFGFR4KCNH2CYP2C9ALOX5AP
SCHEMBL19670248 0.85 ATR (0.41) FAAHFGFR4KCNH2SYK
SCHEMBL19365308 0.84 FGFR4 (0.35) FAAHFGFR4KCNH2CYP2C9ALOX5AP
SCHEMBL19670256 0.84 FGFR4 (0.36) FAAHFGFR4KCNH2CYP2C9ALOX5AP
SCHEMBL19365305 0.83 ABL1 (0.36) MAP4K4FAAHFGFR4KCNH2CYP2C9

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 3 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 MAP4K4 2229/4885FAAH 977/4885FGFR4 1754/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAP4K4 2229/4885FAAH 977/4885FGFR4 1754/4885

“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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