SCHEMBL5063121

SCHEMBL5063121

CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 5/20 0.61
MAPT P10636 7/20 0.61
KDM4E B2RXH2 4/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CCR6 P51684 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 2/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 3/20 0.52
ATM Q13315 1/20 0.52
POLB P06746 1/20 0.52
RARA P10276 1/20 0.52
RARB P10826 1/20 0.52

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
SCHEMBL15173267 0.89 NPC1 (0.55) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL6208075 0.84 CA12 (0.58) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL30925072 0.83 NPC1 (0.57) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL29214354 0.83 NPC1 (0.57) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL4763680 0.83 JMJD6 (0.67) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL24858999 0.83 NPC1 (0.58) RAB9ANPC1MAPTKDM4ETDP1
SCHEMBL19563149 0.83 TDP1 (0.62) RAB9ANPC1MAPTKDM4ETDP1
SCHEMBL3510029 0.81 RAB9A (0.57) RAB9ANPC1MAPTKDM4ESMN1; SMN2
SCHEMBL28490522 0.81 TSHR (0.57) MAPTKDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4654467 0.81 CTRC (0.56) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 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 (3 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ RAB9A 2846/4885NPC1 2841/4885MAPT 2268/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ RAB9A 2846/4885NPC1 2841/4885MAPT 2268/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ RAB9A 2846/4885NPC1 2841/4885MAPT 2268/4885

“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.