SCHEMBL8902169

SCHEMBL8902169

BN(N)C(=O)Cc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.47
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SHBG P04278 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CASP3 P42574 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HTT P42858 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAOB P27338 1/20 0.37

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
SCHEMBL7120048 0.79 CTBP2 (0.51) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL29718576 0.75 CTBP2 (0.55) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL158861 0.75 CTBP2 (0.55) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL2935824 0.74 CTBP2 (0.58) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL706704 0.74 CTBP2 (0.46) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL31443047 0.74 TRPM8 (0.46) CTBP2KMT2AMEN1MAPTSHBG
Hydrochloric Acid SCHEMBL14167478 0.73 CTBP2 (0.53) CTBP2KMT2AMEN1MAPTSHBG
Methylamine SCHEMBL11468456 0.73 CTBP2 (0.58) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL2528595 0.72 AKR1B1 (0.61) CTBP2KMT2AMEN1MAPTSHBG
SCHEMBL1259145 0.72 CTBP2 (0.56) CTBP2KMT2AMEN1MAPTSHBG

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
US-8242055-B2 Herbicidally and insecticidally active phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-08-14 — — US disclosed
US-8188008-B2 Herbicidally and insecticidally active 4-phenyl-substituted pyridazinones BAYER CROPSCIENCE AG (DE) 2012-05-29 — — US disclosed
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-05-19 — — US disclosed
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2011-01-06 — — US disclosed
US-20100184602-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-22 — — 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 (4 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 CTBP2 3121/4885KMT2A 1579/4885MEN1 4643/4885
US-20110003692-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX1, PNPO CTBP2 3121/4885KMT2A 1579/4885MEN1 4643/4885
US-20110118118-A1 HERBICIDALLY ACTIVE PHENYL-SUBSTITUTED PYRIDAZINONES PNPO, PDXK, PRDX1 CTBP2 3638/4885KMT2A 1807/4885MEN1 4760/4885
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 CTBP2 3288/4885KMT2A 1592/4885MEN1 4743/4885

“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.

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