SCHEMBL4514112

SCHEMBL4514112

Cc1ccccc1CN1C(=O)CN(Cc2c(Cl)cccc2Cl)C1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
TP53 P04637 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL4510232 0.81 P2RX7 (0.58) P2RX7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4509520 0.79 MAPT (0.53) P2RX7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4525071 0.73 P2RX7 (0.42) P2RX7PTGS1PTGS2MEN1KMT2A
SCHEMBL4511933 0.73 CYP1A2 (0.57) MEN1KMT2APOLBMAPTTP53
SCHEMBL4523295 0.72 CYP1A2 (0.64) P2RX7MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL4510323 0.72 P2RX7 (0.51) P2RX7POLBTRPC5TP53
SCHEMBL4525501 0.70 P2RX7 (0.45) P2RX7MEN1KMT2ASMN1; SMN2
SCHEMBL28912675 0.69 PTGS1 (0.65) P2RX7PTGS1PTGS2MEN1KMT2A
SCHEMBL8360732 0.68 DRD2 (0.55) P2RX7MEN1KMT2APOLBSMN1; SMN2
SCHEMBL7557931 0.68 PTGS1 (0.62) P2RX7PTGS1PTGS2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 P2RX7 3946/4885PTGS1 99/4885PTGS2 473/4885

“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.