SCHEMBL21078439

SCHEMBL21078439

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
PRKCZ Q05513 1/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
ATM Q13315 3/20 0.31
HSP90AA1 P07900 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PDE5A O76074 1/20 0.30

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
SCHEMBL19866332 0.93 PRKCZ (0.34) SMN1; SMN2PRKCZMEN1KMT2AATM
SCHEMBL19866329 0.83 SMN1; SMN2 (0.35) SMN1; SMN2PRKCZMEN1KMT2AATM
SCHEMBL19866193 0.81 SMN1; SMN2 (0.38) SMN1; SMN2PRKCZMEN1KMT2AATM
SCHEMBL19866242 0.74 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL17047692 0.72 RAB9A (0.42) SMN1; SMN2MEN1KMT2AATMALDH1A1
SCHEMBL19866244 0.72 MAOB (0.41) SMN1; SMN2MEN1KMT2AATMALDH1A1
SCHEMBL21610400 0.72 MAPT (0.43) SMN1; SMN2PRKCZMEN1KMT2AATM
SCHEMBL21078628 0.71 MAOB (0.45) SMN1; SMN2ATMALDH1A1LMNAGAA
SCHEMBL11456700 0.68 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL19866238 0.67 KMT2A (0.45) MEN1KMT2AALDH1A1LMNAMAPT

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 SMN1; SMN2 4865/4885PRKCZ 3586/4885MEN1 3938/4885

“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.