SCHEMBL4088045

SCHEMBL4088045

CC(=N)c1oc2ccccc2c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
KCNH2 Q12809 1/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 2/20 0.50
RECQL P46063 2/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL30128878 0.81 KMT2A (0.53) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL114250 0.81 KMT2A (0.60) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL29185900 0.81 KMT2A (0.53) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL21325542 0.79 KMT2A (0.51) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL442779 0.77 MCL1 (0.60) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL4099301 0.77 PLK1 (0.46) KCNH2ALDH1A1TSHRNPC1RAB9A
SCHEMBL25472764 0.76 KCNH2 (0.58) KMT2AKCNH2ALDH1A1TSHRHTT
Hydrochloric Acid SCHEMBL9789912 0.76 MCL1 (0.58) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL992866 0.76 KCNH2 (0.58) KMT2AKCNH2ALDH1A1TSHRHTT
SCHEMBL353910 0.76 KCNH2 (0.58) KMT2AKCNH2ALDH1A1TSHRHTT

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI KMT2A 2385/4885KCNH2 980/4885ALDH1A1 2669/4885

“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.