SCHEMBL16785645

SCHEMBL16785645

O=C(Nc1ccncc1)N1CCCCNc2ccc(N3CCCC(C(F)(F)F)C3)nc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.40
▸ MAP4K4 O95819 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ EIF2AK4 Q9P2K8 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ DGAT2 Q96PD7 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ABL1 P00519 1/20 0.32

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
SCHEMBL16785543 0.90 HTR2C (0.39) TRPV3MAP4K4NAMPTEIF2AK4TRPV1
SCHEMBL16785571 0.89 TRPV3 (0.39) TRPV3MAP4K4SCN10APOLBNAMPT
SCHEMBL16785642 0.89 SCN10A (0.40) TRPV3MAP4K4SCN10AEIF2AK4DGAT2
SCHEMBL16785521 0.88 MAP4K4 (0.40) TRPV3MAP4K4SCN10APOLBEIF2AK4
SCHEMBL16785621 0.88 MAP4K4 (0.40) TRPV3MAP4K4SCN10ANAMPTEIF2AK4
SCHEMBL16785632 0.88 TRPV3 (0.39) TRPV3MAP4K4SCN10APOLBEIF2AK4
SCHEMBL16785633 0.87 HTR2C (0.39) TRPV3MAP4K4NAMPTEIF2AK4TRPV1
SCHEMBL16785539 0.87 TRPV3 (0.41) TRPV3MAP4K4SCN10ANAMPTEIF2AK4
SCHEMBL16785626 0.87 POLB (0.39) TRPV3MAP4K4SCN10APOLBEIF2AK4
SCHEMBL16785636 0.87 SCN10A (0.42) TRPV3MAP4K4SCN10AEIF2AK4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV3 4093/4885MAP4K4 2229/4885SCN10A 3878/4885

“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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