SCHEMBL4517890

SCHEMBL4517890

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(Cc3ccc(Cl)c(Cl)c3)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
UBE2N P61088 1/20 0.38
POLB P06746 1/20 0.37
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
MAOB P27338 4/20 0.35
MAOA P21397 2/20 0.35
TSHR P16473 2/20 0.35
XBP1 P17861 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
F2RL3 Q96RI0 1/20 0.34

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
SCHEMBL4521209 0.85 ALDH1A3 (0.39) SMN1; SMN2LMNAHTTPOLBDRD1
SCHEMBL4520099 0.85 F2RL3 (0.40) SMN1; SMN2LMNAHTTCYP1A2CYP3A4
SCHEMBL4520627 0.83 DRD1 (0.41) SMN1; SMN2LMNAHTTCYP1A2CYP3A4
SCHEMBL4525768 0.83 DRD1 (0.39) LMNAHTTPOLBDRD1DRD5
SCHEMBL5431675 0.82 ALDH1A2 (0.49) SMN1; SMN2LMNAHTTMAOBMAOA
SCHEMBL4524591 0.81 POLB (0.36) LMNAHTTPOLBDRD1DRD5
SCHEMBL4521884 0.81 MAPK1 (0.45) SMN1; SMN2LMNAHTTCYP1A2CYP3A4
SCHEMBL4520494 0.81 MAOB (0.38) LMNAHTTPOLBDRD1DRD5
SCHEMBL4520372 0.80 GSR (0.37) SMN1; SMN2LMNAHTTPOLBDRD1
SCHEMBL4525444 0.80 GSR (0.41) SMN1; SMN2LMNAHTTPOLBDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 SMN1; SMN2 3506/4885LMNA 4529/4885HTT 3883/4885

“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.