SCHEMBL17624599

SCHEMBL17624599

O=C(Nc1ccncc1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@H]21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ NAMPT P43490 3/20 0.37
▸ EIF2AK4 Q9P2K8 2/20 0.36
▸ TRPV1 Q8NER1 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 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
SCHEMBL19670615 1.00 TRPV3 (0.40) TRPV3MAP4K4POLBSCN10ANAMPT
SCHEMBL19669729 0.90 TRPV1 (0.40) TRPV3MAP4K4POLBSCN10ANAMPT
SCHEMBL17624532 0.90 TRPV1 (0.40) TRPV3MAP4K4POLBSCN10ANAMPT
SCHEMBL19670288 0.88 MAP4K4 (0.41) TRPV3MAP4K4POLBSCN10AEIF2AK4
SCHEMBL17624480 0.88 MAP4K4 (0.41) TRPV3MAP4K4POLBSCN10AEIF2AK4
SCHEMBL19670451 0.88 MAP4K4 (0.41) TRPV3MAP4K4POLBSCN10ANAMPT
SCHEMBL17624401 0.88 MAP4K4 (0.41) TRPV3MAP4K4POLBSCN10ANAMPT
SCHEMBL19670286 0.88 TRPV3 (0.40) TRPV3MAP4K4SCN10ANAMPTEIF2AK4
SCHEMBL17624478 0.88 TRPV3 (0.40) TRPV3MAP4K4SCN10ANAMPTEIF2AK4
SCHEMBL17624205 0.87 TRPV3 (0.39) TRPV3MAP4K4SCN10AEIF2AK4KMT2A

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-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
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4464/4885MAP4K4 1867/4885POLB 798/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4093/4885MAP4K4 2229/4885POLB 961/4885

“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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