SCHEMBL8123776

SCHEMBL8123776

CCCn1c(C)nc2cccc(Cl)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
GRM5 P41594 1/20 0.48
PSMB8 P28062 1/20 0.45
MAPT P10636 3/20 0.42
TLR8 Q9NR97 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 1/20 0.41
POLB P06746 2/20 0.41
TNF P01375 1/20 0.41
S1PR1 P21453 1/20 0.40
PLK1 P53350 1/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
GSK3B P49841 1/20 0.38
ESR1 P03372 1/20 0.38
USP2 O75604 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
SCHEMBL13872546 0.79 PRMT5 (0.44) PRMT5PSMB8MAPTALDH1A1GALR3
SCHEMBL3633643 0.79 GRM5 (0.61) PRMT5GRM5PSMB8MAPTALDH1A1
Hydrochloric Acid SCHEMBL3633719 0.78 GRM5 (0.52) PRMT5GRM5PSMB8MAPTALDH1A1
SCHEMBL3629788 0.78 GRM5 (0.47) PRMT5GRM5PSMB8MAPTTLR8
SCHEMBL21263258 0.78 PRMT5 (0.66) PRMT5PSMB8MAPTALDH1A1RAB9A
SCHEMBL3632524 0.77 GRM5 (0.59) PRMT5GRM5PSMB8MAPTALDH1A1
SCHEMBL3633369 0.76 GRM5 (0.55) PRMT5GRM5PSMB8MAPTALDH1A1
SCHEMBL3633793 0.76 GRM5 (0.66) PRMT5GRM5PSMB8MAPTALDH1A1
SCHEMBL3634834 0.76 GRM5 (0.45) PRMT5GRM5PSMB8MAPTTLR8
SCHEMBL3635985 0.75 GRM5 (0.59) GRM5MAPTALDH1A1S1PR1LMNA

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
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US 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 PRMT5 2809/4885GRM5 4545/4885PSMB8 2895/4885

“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.