SCHEMBL9891790

SCHEMBL9891790

Cc1ccc(NC(=O)C(C)C)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.68
MAPT P10636 1/20 0.68
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 9/20 0.54
ALDH1A1 P00352 8/20 0.54
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
HPGD P15428 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.50
XIAP P98170 1/20 0.49

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
SCHEMBL839860 0.88 RAB9A (0.66) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL21401471 0.86 RAB9A (0.64) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL15986869 0.86 XIAP (0.64) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL839228 0.85 RAB9A (0.62) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL839347 0.85 RAB9A (0.62) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL839227 0.85 RAB9A (0.62) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL13086264 0.83 RAB9A (0.60) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL17409810 0.83 RAB9A (0.60) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL2636192 0.81 RAB9A (0.78) RAB9AMAPTKDM4ENPC1ALDH1A1
SCHEMBL19699480 0.81 FFAR2 (0.62) RAB9AMAPTKDM4ENPC1ALDH1A1

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
WO-2019183523-A1 HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL) GENENTECH, INC. (US) 2019-09-26 WO 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
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RAB9A 2299/4885MAPT 4057/4885KDM4E 2527/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1227/4885MAPT 290/4885KDM4E 1291/4885

“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.