SCHEMBL22000613

SCHEMBL22000613

COc1ccc(C2=NCCO2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
PTGS2 P35354 5/20 0.44
MAPK10 P53779 3/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMO O15229 2/20 0.40
PTGS1 P23219 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL10713544 0.82 MAPT (0.43) KMT2AMEN1PTGS2MAPTGFER
SCHEMBL29367971 0.80 AHR (0.46) KMT2AMEN1PTGS2MAPTSMN1; SMN2
SCHEMBL9666112 0.79 POLB (0.47) KMT2AMEN1POLBPTGS2MAPT
SCHEMBL9863112 0.77 S1PR1 (0.33) KMT2AMEN1POLB
SCHEMBL9666810 0.76 ESR2 (0.44) PTGS2
SCHEMBL21611100 0.76 KCNH2 (0.38) SMN1; SMN2
SCHEMBL5140737 0.76 PDK2 (0.41) MAPTSMN1; SMN2
SCHEMBL9862968 0.76 KCNH2 (0.40) KMT2AMEN1MAPTSMN1; SMN2KMO
SCHEMBL11082623 0.76 ALDH1A1 (0.48) KMT2AMEN1MAPK10MAPTSMN1; SMN2
SCHEMBL9863109 0.75 KCNH2 (0.35) KMT2A

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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 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-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG KMT2A 1976/4885MEN1 3767/4885POLB 794/4885

“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.