SCHEMBL19706209

SCHEMBL19706209

COc1cc(-c2ccc3c(n2)N(C(O)Nc2cnccn2)[C@H]2CCN3C2)cc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMPD3 Q9NY59 6/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ PRKD1 Q15139 3/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PIM1 P11309 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL19706309 0.91 HRH3 (0.39) PRKD1KCNH2HRH3
SCHEMBL19670505 0.85 PRKD1 (0.34) PRKD1
SCHEMBL16754702 0.84 SMPD3 (0.37) SMPD3ALDH1A1HPGDTSHRHSD17B10
SCHEMBL19706213 0.84 PRKD1 (0.33) HPGDHSD17B10PRKD1PIM1HRH3
SCHEMBL19670237 0.82 PRKD1 (0.33) HPGDHSD17B10PRKD1PIM1
SCHEMBL19670635 0.81 PRKD1 (0.35) PRKD1
SCHEMBL19706211 0.81 SMN1; SMN2 (0.36) PRKD1PIM1SMN1; SMN2
SCHEMBL19670462 0.79 MTOR (0.40) SMPD3KCNH2HRH3
SCHEMBL19670673 0.79 JAK3 (0.33) KCNH2
SCHEMBL19670481 0.78 KARS1 (0.41) ALDH1A1PRKD1HRH3KDM4E

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 2 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

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SMPD3 2829/4885ALDH1A1 1726/4885HPGD 302/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SMPD3 2829/4885ALDH1A1 1726/4885HPGD 302/4885

“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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