SCHEMBL21078628

SCHEMBL21078628

CC1=C(C)C(O)N(C2=NN(C)C(c3ccccc3)C2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.45
MAOA P21397 8/20 0.45
RIPK1 Q13546 1/20 0.38
KIF11 P52732 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL19866226 0.89 MAOB (0.46) MAOBMAOASMN1; SMN2ALDH1A1LMNA
SCHEMBL19866245 0.82 ESD (0.47) RIPK1KIF11SMN1; SMN2ALDH1A1LMNA
SCHEMBL19866187 0.79 MAOB (0.51) MAOBMAOARIPK1KIF11SMN1; SMN2
SCHEMBL19866329 0.75 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1LMNAKDM4EGAA
SCHEMBL19866328 0.74 ESD (0.49) MAOBMAOASMN1; SMN2ALDH1A1LMNA
SCHEMBL19866332 0.71 PRKCZ (0.34) RIPK1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL21078439 0.71 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1LMNAGAAATM
SCHEMBL17047692 0.70 RAB9A (0.42) SMN1; SMN2ALDH1A1LMNAKDM4EGAA
SCHEMBL19866242 0.70 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL17012695 0.68 MAOB (0.64) MAOBMAOARIPK1SMN1; SMN2ALDH1A1

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 MAOB 808/4885MAOA 1209/4885RIPK1 1557/4885

“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.