SCHEMBL19706222

SCHEMBL19706222

O=C(Nc1cccc(-c2ccco2)c1)N1c2nc(N3CCCC(C(F)(F)F)C3)ccc2N2CCC[C@H]21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ DUSP22 Q9NRW4 2/20 0.35
▸ CASR P41180 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ PPID Q08752 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ PTPN7 P35236 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ TRIM24 O15164 1/20 0.34

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
SCHEMBL17624595 0.90 RHOA (0.45) RHOANPC1RAB9ACASRTRPV3
SCHEMBL20632824 0.90 RHOA (0.45) RHOANPC1RAB9ACASRTRPV3
SCHEMBL19670612 0.90 RHOA (0.45) RHOANPC1RAB9ACASRTRPV3
SCHEMBL19699062 0.89 RHOA (0.43) RHOATDP1L3MBTL1NPC1RAB9A
SCHEMBL19706223 0.85 RHOA (0.43) RHOATDP1L3MBTL1NPC1RAB9A
SCHEMBL19669729 0.82 TRPV1 (0.40) TRPV3POLBSCN10A
SCHEMBL17624532 0.82 TRPV1 (0.40) TRPV3POLBSCN10A
SCHEMBL19670615 0.81 TRPV3 (0.40) TRPV3POLBSCN10A
SCHEMBL17624599 0.81 TRPV3 (0.40) TRPV3POLBSCN10A
SCHEMBL19670451 0.80 MAP4K4 (0.41) TRPV3POLBSCN10A

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RHOA 4798/4885TDP1 1232/4885L3MBTL1 2574/4885

“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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