SCHEMBL3634249

SCHEMBL3634249

CCCn1c(-c2cnc(Cl)nc2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.60
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 2/20 0.60
TSHR P16473 2/20 0.60
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
MAPT P10636 2/20 0.59
CYP11B1 P15538 1/20 0.55
HPGD P15428 4/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 1/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MYC P01106 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
SCHEMBL3631813 0.86 MEN1 (0.69) GRM5KDM4EALDH1A1LMNATSHR
SCHEMBL3635681 0.84 GRM5 (0.71) GRM5KDM4EALDH1A1LMNATSHR
SCHEMBL227741 0.82 KDM4E (0.74) KDM4EALDH1A1LMNATSHRGAA
SCHEMBL3633643 0.81 GRM5 (0.61) GRM5KDM4EALDH1A1LMNATSHR
SCHEMBL13872530 0.81 MEN1 (0.73) KDM4EALDH1A1LMNATSHRGAA
SCHEMBL14785734 0.80 MAPT (0.82) GRM5KDM4EALDH1A1LMNATSHR
SCHEMBL19275979 0.80 KDM4E (0.74) KDM4EALDH1A1LMNATSHRGAA
SCHEMBL3635975 0.78 GRM5 (0.88) GRM5KDM4EALDH1A1LMNATSHR
SCHEMBL20715593 0.77 MAPT (0.73) KDM4EALDH1A1LMNATSHRGAA
SCHEMBL5310612 0.77 KDM4E (0.78) KDM4EALDH1A1LMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885KDM4E 2938/4885ALDH1A1 45/4885

“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.