SCHEMBL4742373

SCHEMBL4742373

COC(=O)c1cc2ccc([N+](=O)[O-])cc2nc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
KCNMA1 Q12791 1/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41

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
SCHEMBL22743606 0.78 L3MBTL1 (0.50) MAPTHTTALDH1A1GAA
SCHEMBL24373427 0.78 KDM4E (0.57) ALDH1A1POLBGAAKMT2A
SCHEMBL30663244 0.78 ALDH1A1 (0.54) MAPTHTTALDH1A1POLBGAA
SCHEMBL26617529 0.78 PLA2G2A (0.44) MAPTHTTALDH1A1LMNAGAA
SCHEMBL4741381 0.77 ELANE (0.45) MAPTALDH1A1KMT2APRMT5WDR77
SCHEMBL222270 0.76 TDP1 (0.67) MAPTHTTALDH1A1TDP1POLB
SCHEMBL20098513 0.76 KDM4E (0.57) MAPTHTTATMALDH1A1NPSR1
SCHEMBL422653 0.76 GAA (0.64) MAPTPOLBLMNANPSR1GAA
SCHEMBL31105839 0.76 KDM4E (0.57) MAPTHTTATMALDH1A1NPSR1
SCHEMBL5873616 0.75 KDM4E (0.61) MAPTALDH1A1TDP1POLBLMNA

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
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 WO disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 WO 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-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPR119, GPBAR1, LDLR MAPT 4357/4885HTT 1817/4885ATM 2847/4885

“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.