SCHEMBL5096428

SCHEMBL5096428

Cc1oc(-c2ccc(F)cc2)nc1CO

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
PPARD Q03181 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 1/20 0.45
KDR P35968 1/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL1436051 0.87 PPARA (0.51) ALDH1A1MAPTMAPK1KDM4ENPC1
SCHEMBL4925692 0.86 TP53 (0.52) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL12961041 0.85 ALDH1A1 (0.52) ALDH1A1MAPTMAPK1KDM4ENPC1
SCHEMBL1049626 0.83 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4ENPC1
SCHEMBL5762006 0.83 HSD17B10 (0.56) ALDH1A1MAPTMAPK1KDM4EPPARA
SCHEMBL1931219 0.83 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4ENPC1
SCHEMBL5093853 0.83 TARBP2 (0.54) ALDH1A1KDM4ENPC1MEN1KMT2A
SCHEMBL4037331 0.83 KDM4E (0.69) KDM4ENPC1PPARGPPARAPPARD
SCHEMBL9831925 0.83 PTPN1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL6511253 0.82 KDM4E (0.60) ALDH1A1MAPTMAPK1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
EP-0220573-B1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-11 EP disclosed
US-4774253-A ETHER,-ACIDS, ESTERS OR AMIDES HOFFMANN-LA ROCHE INC. (US) 1988-09-27 US disclosed
EP-0220573-A1 Heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1987-05-06 EP 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 (1 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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA ALDH1A1 1297/4885MAPT 3142/4885MAPK1 1635/4885

“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.