SCHEMBL17618834

SCHEMBL17618834

Cc1cncc(NC(=O)N2c3nc(-c4cncc(C(F)(F)F)c4)ccc3N3C[C@@H](O)[C@H]2C3)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.41
▸ AR P10275 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PHGDH O43175 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ ABL1 P00519 5/20 0.35
▸ CRHR1 P34998 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ HTR2A P28223 5/20 0.33
▸ HTR2C P28335 5/20 0.33
▸ HTR2B P41595 5/20 0.33
▸ CYP1A2 P05177 4/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 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
SCHEMBL17618819 0.92 PHGDH (0.42) SCN10AARMAPTPHGDHCRHR1
SCHEMBL19699103 0.92 MAPT (0.42) SCN10AMAPTTRPV3ABL1
SCHEMBL17618836 0.91 ABL1 (0.38) SCN10ATRPV3ABL1CRHR1HTR2A
SCHEMBL17618846 0.89 HTR2C (0.44) MAPTABL1TRPV1HTR2AHTR2C
SCHEMBL17618841 0.85 PIK3CD (0.35) TRPV3ABL1CRHR1WDR5
SCHEMBL17618840 0.84 ALOX15 (0.37) MAPTTRPV3ABL1
SCHEMBL17618798 0.83 FYN (0.36) MAPTTRPV3ABL1CRHR1HTR2A
SCHEMBL17618839 0.83 TRPV1 (0.38) ARPHGDHTRPV3ABL1TRPV1
SCHEMBL17618842 0.83 ABL1 (0.35) ARTRPV3ABL1
SCHEMBL17618838 0.83 FAAH (0.36) SCN10ATRPV3ABL1HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3357/4885AR 3803/4885MAPT 303/4885

“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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