SCHEMBL19706185

SCHEMBL19706185

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccn(C)n2)[C@H]2CCN3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ USP2 O75604 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ PDE4B Q07343 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ KCNT1 Q5JUK3 3/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ KARS1 Q15046 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
SCHEMBL17618439 0.91 RAB9A (0.39) NPC1RAB9ALRRK2MAPTGRM5
SCHEMBL19361169 0.89 SMPD3 (0.35) NPC1RAB9ADYRK1APDE4BPDE4D
SCHEMBL17618485 0.89 LRRK2 (0.38) LRRK2ADORA2APDE4BPDE4D
SCHEMBL17618359 0.89 KMT2A (0.39) USP2TSHRADORA2AMAPTKDM4E
SCHEMBL16754400 0.87 PRKD1 (0.37) LRRK2DYRK1APDE4BPDE4DGRM5
SCHEMBL19670173 0.87 NPC1 (0.32) NPC1RAB9ADYRK1APDE4BPDE4D
SCHEMBL17618478 0.86 IRAK4 (0.42) PDE4BPDE4DSMPD3
SCHEMBL16775782 0.85 GRM5 (0.39) RAB9AUSP2DYRK1AGRM5CA9
SCHEMBL17618370 0.84 IDH2 (0.39) USP2TSHRADORA2ATP53MAPT
SCHEMBL19699059 0.83 FAAH (0.43) RAB9AUSP2MAPTCA9SMPD3

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 NPC1 3380/4885RAB9A 1471/4885USP2 218/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NPC1 3380/4885RAB9A 1471/4885USP2 218/4885

“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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