SCHEMBL2530689

SCHEMBL2530689

Cc1nn(C)c(=O)c(-c2c(F)cccc2Cl)c1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.35
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PDE5A O76074 1/20 0.34
MEN1 O00255 2/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK8 P49336 1/20 0.33
ACVR1 Q04771 1/20 0.33
WEE1 P30291 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL2484646 0.79 MAPT (0.44) MAPTKMT2ALMNAPDE2APDE10A
SCHEMBL29039033 0.70 MAPT (0.51) MAPTKMT2ALMNAPDE2APDE10A
SCHEMBL22031793 0.69 MEN1 (0.33) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL29457680 0.69 MEN1 (0.33) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL18489287 0.68 HTR1A (0.40) KMT2AALDH1A1HPGD
SCHEMBL22654071 0.67 SMN1; SMN2 (0.31) MAPTLMNACYP2C19
SCHEMBL29658208 0.67 SMN1; SMN2 (0.31) MAPTLMNACYP2C19
SCHEMBL24660438 0.66 MAPK14 (0.40) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL29457681 0.66 MAPK14 (0.40) KMT2AMEN1PKMALDH1A1HPGD
SCHEMBL12906071 0.64 PDE5A (0.39) LMNAPDE5AKDM4EALDH1A1CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379509-B1 HERBICIDAL AND INSECTICIDAL PHENYL-SUBSTITUTED PYRIDAZINONES BAYER IP GMBH (DE) 2016-02-17 EP disclosed
US-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 US disclosed
EP-2379509-A1 PHENYL-SUBSTITUTED PYRIDAZINONE ACTING AS HERBICIDE AND INSECTICIDE Bayer CropScience AG (DE) 2011-10-26 EP disclosed
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM WYETH (US) 2010-08-05 US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 US disclosed
WO-2010078912-A1 PHENYL-SUBSTITUTED PYRIDAZINONE ACTING AS HERBICIDE AND INSECTICIDE BAYER CROPSCIENCE AG (DE) 2010-07-15 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-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO MAPT 4507/4885KMT2A 1579/4885LMNA 1586/4885
US-20100196714-A1 PROCESS FOR PREPARING QUINOLINE COMPOUNDS AND PRODUCTS OBTAINED THEREFROM NNMT, QTRT1, HNMT MAPT 1756/4885KMT2A 908/4885LMNA 1434/4885

“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.