SCHEMBL21078431

SCHEMBL21078431

CC1=C(C)C(=O)N(C2=NN(c3ccccn3)C(c3ccc(Cl)cc3)C2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESD P10768 1/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.43
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PRKCZ Q05513 2/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
MAOB P27338 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL19866237 0.92 SMN1; SMN2 (0.52) ESDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19866194 0.88 SMN1; SMN2 (0.46) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL19866337 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2PRKCZLMNAMEN1
SCHEMBL19866328 0.83 ESD (0.49) ESDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22795865 0.83 ESD (0.55) ESDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19866240 0.81 ESD (0.53) ESDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19866263 0.80 SMN1; SMN2 (0.56) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB
SCHEMBL19866299 0.77 ESD (0.42) ESDALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL19866264 0.77 MAOB (0.51) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL19866192 0.77 SMN1; SMN2 (0.49) ALDH1A1KDM4EL3MBTL1SMN1; SMN2POLB

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-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-06 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-20190166840-A1 SUBSTITUTED PYRAZOLINYL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS HPD, GMDS, WEE1 ESD 1602/4885ALDH1A1 947/4885KDM4E 373/4885

“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.