SCHEMBL8901986

SCHEMBL8901986

Cc1ccccc1-c1c(O)c(CC(C)C)nn(CCc2ccccc2Cl)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.40
BRD4 O60885 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
ORAI1 Q96D31 1/20 0.34
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
USP2 O75604 1/20 0.33
NMT1 P30419 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CMA1 P23946 1/20 0.32
DAO P14920 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL8902542 0.90 GAA (0.40) TACR1KMT2AGAALMNASMN1; SMN2
SCHEMBL8901006 0.89 TACR1 (0.42) TACR1BRD4KMT2AGAALMNA
SCHEMBL8902645 0.88 TACR1 (0.41) TACR1BRD4KMT2AGAALMNA
SCHEMBL8902477 0.87 TACR1 (0.44) TACR1BRD4KMT2AGAALMNA
SCHEMBL8901247 0.86 ADRA1A (0.38)
SCHEMBL8901027 0.85 CASR (0.41) TACR1KMT2ALMNAMEN1CASP3
SCHEMBL8903069 0.85 TACR1 (0.44) TACR1BRD4KMT2AGAALMNA
SCHEMBL8902754 0.85 TACR1 (0.39) TACR1BRD4KMT2AGAALMNA
SCHEMBL8902932 0.81 TACR1 (0.40) TACR1BRD4GAAORAI1CASP3
SCHEMBL8900923 0.81 KMT2A (0.42) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 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-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 TACR1 1742/4885BRD4 1433/4885KMT2A 1592/4885

“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.