SCHEMBL1823231

SCHEMBL1823231

CC(Oc1cccnc1)(C(=O)NF)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
GPR132 Q9UNW8 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NOTUM Q6P988 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.38
GALR3 O60755 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1821867 0.86 PPARA (0.45) CYP2C19HTTALDH1A1RAB9AMEN1
SCHEMBL1819151 0.86 CNR1 (0.41) CNR1GPR132CYP3A4CYP1A2CYP2C9
SCHEMBL1817637 0.84 KMT2A (0.43) CNR1GPR132CYP3A4CYP1A2CYP2C9
SCHEMBL1823984 0.74 BCHE (0.48) TDP1ALDH1A1THRBRAB9AMEN1
SCHEMBL3454068 0.73 CYP1A2 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1818640 0.72 HDAC3 (0.58) RAB9ANPC1
SCHEMBL1819039 0.72 PPARA (0.46) CYP2C19HTTALDH1A1RAB9AMEN1
SCHEMBL3372165 0.72 PPARA (0.50) CNR1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL1819711 0.72 PPARA (0.43) HTTALDH1A1RAB9AMEN1KMT2A
SCHEMBL1823516 0.71 PPARA (0.45) CYP3A4CYP1A2CYP2C19HTTALDH1A1

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-7947712-B2 Antiarthritic agents; asthma; chronic obstructive pulminary diosrders; atherosclerosis; vision defects; hepatitis; central nervous system disorders; cardiovascular disorders; wound healing agents; restenosis; cirrhosis; multiple sclerosis; glomerulonephritis; graft versus host disease; antidiabetic agent WYETH LLC (US) 2011-05-24 US disclosed
US-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof WYETH (US) 2008-10-30 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 (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-20080269213-A1 8-Hydroxyquinoline compounds and methods thereof MMP8, MMP26, MMP9 CNR1 3152/4885GPR132 304/4885CYP3A4 1436/4885

“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.