SCHEMBL19714129

SCHEMBL19714129

Cc1ccc(NC(=O)N2c3nc(C(=O)NC4CC4)ccc3N3CC[C@H]2C3)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ FGFR4 P22455 2/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ CRHR1 P34998 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KARS1 Q15046 1/20 0.35

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
SCHEMBL17776972 1.00 RAB9A (0.39) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL19714072 0.89 NPC1 (0.39) RAB9ANPC1SMN1; SMN2FGFR4CNR1
SCHEMBL17770026 0.89 DEGS1 (0.37) CRHR1PAK1ACKR3PDE4B
SCHEMBL17777112 0.87 CNR1 (0.41) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL22239718 0.87 KMT2A (0.42) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL19713766 0.87 RPS6KA3 (0.39) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL22239709 0.85 DRD2 (0.39) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL16754448 0.85 DRD2 (0.39) RAB9ANPC1MAPTTP53SMN1; SMN2
SCHEMBL19714141 0.85 PARP1 (0.40) HCRTR1HSD11B1CXCR3
SCHEMBL17769922 0.85 KMT2A (0.37) RAB9ANPC1MAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 RAB9A 1227/4885NPC1 3047/4885MAPT 290/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1227/4885NPC1 3047/4885MAPT 290/4885

“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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