SCHEMBL17618791

SCHEMBL17618791

O=C(NCCc1ccccn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.45
▸ LIPC P11150 1/20 0.45
▸ LIPG Q9Y5X9 1/20 0.45
▸ CHRM4 P08173 2/20 0.43
▸ KCNH2 Q12809 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ SRPK1 Q96SB4 5/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36

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
SCHEMBL17618822 0.95 LPL (0.43) LPLLIPCLIPGCHRM4KCNH2
SCHEMBL16238924 0.89 TP53 (0.42) LIPGCHRM4
SCHEMBL17618790 0.88 CHRM4 (0.41) CHRM4KDM4EKMO
SCHEMBL17778734 0.87 KCNH2 (0.42) LIPGKCNH2KMO
SCHEMBL17768260 0.86 KMT2A (0.40) LIPCLIPGCHRM4
SCHEMBL17618776 0.86 ASAH1 (0.40) CHRM4NAMPT
SCHEMBL19689730 0.86 ITGB2 (0.42) LIPGKCNH2
SCHEMBL19699710 0.86 ITGB2 (0.42) LIPGKCNH2
SCHEMBL17618781 0.86 KMT2A (0.47) CHRM4KCNH2PIK3CAPIK3CBPIK3CG
SCHEMBL17618777 0.85 ASAH1 (0.42) CHRM4

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
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US 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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LPL 2701/4885LIPC 1313/4885LIPG 355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LPL 2745/4885LIPC 1190/4885LIPG 447/4885

“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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