SCHEMBL12296252

SCHEMBL12296252

COC(=O)c1nccnc1NCC(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.33
ACACB O00763 1/20 0.33
FDPS P14324 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
STAT5B P51692 1/20 0.32

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
SCHEMBL2372675 0.78 L3MBTL1 (0.49) SCDL3MBTL1KDM4EPOLBALOX15
SCHEMBL11080584 0.78 SCD (0.46) SCDL3MBTL1NPSR1KDM4EMAPT
SCHEMBL16506482 0.76 ALDH1A1 (0.43) SCDL3MBTL1NPSR1KDM4EALDH1A1
SCHEMBL15360305 0.74 NPSR1 (0.46) SCDL3MBTL1NPSR1KDM4EMAPT
SCHEMBL15529175 0.74 MAPT (0.57) NPSR1KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL71518 0.73 NPSR1 (0.59) L3MBTL1NPSR1KDM4EMAPTSMN1; SMN2
SCHEMBL1465529 0.73 KDR (0.46) KDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL270613 0.72 SCD (0.34) SCDL3MBTL1
SCHEMBL7931401 0.70 L3MBTL1 (0.40) SCDL3MBTL1NPSR1KDM4ESMN1; SMN2
SCHEMBL11087406 0.70 ALDH1A1 (0.40) SCDL3MBTL1NPSR1KDM4EMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921273-B2 Substituted pyridazines having herbicidal action BASF SE (DE) 2014-12-30 US disclosed
US-8921273-B2 Substituted pyridazines having herbicidal action BASF SE (DE) 2014-12-30 US disclosed
US-20130012388-A1 Pyrazinothiazines Having Herbicidal Action BASF SE (DE) 2013-01-10 US disclosed
US-20130012388-A1 Pyrazinothiazines Having Herbicidal Action BASF SE (DE) 2013-01-10 US disclosed
US-20130005576-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-03 US disclosed
US-20130005576-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-03 US disclosed
WO-2011117151-A1 PYRAZINOTHIAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2011117273-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO 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 (2 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-20130005576-A1 Substituted Pyridazines Having Herbicidal Action PNPO, PLPBP, CYP4Z1 SCD 3776/4885L3MBTL1 4314/4885NPSR1 1525/4885
US-20130012388-A1 Pyrazinothiazines Having Herbicidal Action PNPO, CYP4Z1, CAT SCD 4451/4885L3MBTL1 4346/4885NPSR1 2483/4885

“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.