SCHEMBL17618549

SCHEMBL17618549

O=C(Nc1cncc(F)c1)N1c2nc(-c3cccc(N4CCC(F)(F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX5AP P20292 1/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ ABL1 P00519 6/20 0.31
▸ SYK P43405 1/20 0.31
▸ KIF18A Q8NI77 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ TEK Q02763 1/20 0.30
▸ TRPV3 Q8NET8 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL17618495 0.90 TRPV3 (0.37) JAK2ABL1SYKTRPV3CHRNB4
SCHEMBL17618559 0.89 CNR1 (0.33) KDM4EALDH1A1ABL1CHRNB4CHRNA3
SCHEMBL17618557 0.89 CNR1 (0.33) KDM4EALDH1A1ABL1CHRNB4CHRNA3
SCHEMBL19669049 0.88 ACACB (0.34) SCN10AJAK2ABL1KIF18A
SCHEMBL17618535 0.88 VCP (0.35) ALOX5APJAK2BTK
SCHEMBL17618571 0.86 PIM2 (0.33) SCN10AABL1
SCHEMBL19365545 0.86 TEK (0.32) SCN10AFAAHKDM4EALDH1A1ALOX5AP
SCHEMBL17618521 0.85 KARS1 (0.39) FAAHALOX5APJAK2CYP3A4CYP2D6
SCHEMBL17618507 0.85 CNR1 (0.36) FAAHCYP2D6CYP2C19SMN1; SMN2CHRNB4
SCHEMBL17618432 0.85 CNR1 (0.36) FAAHCYP2D6CYP2C19SMN1; SMN2CHRNB4

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 SCN10A 3357/4885FAAH 1092/4885KDM4E 1109/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3878/4885FAAH 977/4885KDM4E 950/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN10A 3878/4885FAAH 977/4885KDM4E 950/4885

“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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