SCHEMBL4841964

SCHEMBL4841964

O=c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n(Cc2ccccc2)c(=O)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RGS4 P49798 1/20 0.47
RGS8 P57771 1/20 0.47
MAPK8 P45983 2/20 0.46
MAPK9 P45984 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
PSD A5PKW4 1/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
CFTR P13569 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 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
SCHEMBL5446255 0.75 CNR1 (0.60) CNR1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL28474139 0.75 ALDH1A1 (0.50) MAPTALDH1A1TP53SMN1; SMN2MAPK8
SCHEMBL8985073 0.74 GSK3B (0.67) MAPTALDH1A1SMN1; SMN2RGS4RGS8
SCHEMBL18931677 0.73 HPGD (0.55) CNR1MAPTALDH1A1RGS4RGS8
SCHEMBL27888661 0.73 ALDH1A1 (0.49) ALDH1A1TP53SMN1; SMN2LMNAHTT
SCHEMBL4214380 0.72 MAPT (0.53) MAPTALDH1A1TP53RGS4RGS8
SCHEMBL24004722 0.72 TSHR (0.76) MAPTALDH1A1TP53MAPK8MAPK9
SCHEMBL11719377 0.72 P2RX3 (0.54) MAPTALDH1A1TP53SMN1; SMN2RGS4
SCHEMBL7142622 0.71 MAPT (0.52) CNR1MAPTALDH1A1TP53SMN1; SMN2
SCHEMBL10487926 0.71 MEN1 (0.61) MAPTTP53MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity THE UNIVERSITY OF TOKYO (JP) 2019-01-22 US disclosed
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2017-06-08 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-7452892-B2 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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 (3 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-20060287341-A1 Triazolopyrimidine cannabinoid receptor 1 antagonists CNR1, CNR2, GPR68 CNR1 1/4885MAPT 2322/4885ALDH1A1 1549/4885
US-20170158704-A1 PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY ENPP2, ITPA, IMPA1 CNR1 3959/4885MAPT 2150/4885ALDH1A1 3520/4885
US-10183949-B2 Pyrimidinone derivative having autotaxin-inhibitory activity ENPP2, ITPA, IMPA1 CNR1 3959/4885MAPT 2150/4885ALDH1A1 3520/4885

“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.