SCHEMBL8901006

SCHEMBL8901006

CCc1nn(CCc2ccccc2Cl)c(=O)c(-c2ccccc2C)c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
BRD4 O60885 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASR P41180 2/20 0.35
HEXA P06865 1/20 0.34
HEXB P07686 1/20 0.34
ALOX15 P16050 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL8902645 0.93 TACR1 (0.41) TACR1BRD4GAAMEN1LMNA
SCHEMBL8902381 0.89 GAA (0.42) TACR1BRD4GAAMEN1LMNA
SCHEMBL8901986 0.89 TACR1 (0.40) TACR1BRD4GAAMEN1LMNA
SCHEMBL8903069 0.88 TACR1 (0.44) TACR1BRD4GAAMEN1LMNA
SCHEMBL8902932 0.86 TACR1 (0.40) TACR1BRD4GAAORAI1CASP3
SCHEMBL8902477 0.85 TACR1 (0.44) TACR1BRD4GAAMEN1LMNA
SCHEMBL8901050 0.85 ADRA1A (0.40) BRD4CASP3CASP7CASR
SCHEMBL8901216 0.84 CASR (0.44) TACR1LMNASMN1; SMN2CASP3CASR
SCHEMBL11965009 0.84 HEXA (0.40) BRD4GAAHEXAHEXBALOX15
SCHEMBL8902474 0.83 GAA (0.41) TACR1GAAMEN1LMNAKMT2A

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 1433/4885GAA 861/4885

“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.