SCHEMBL7089043

SCHEMBL7089043

Cc1c(C(F)(F)F)cnn(-c2ccc(Cl)c(C=C(Cl)C(=O)N3CCCC3)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PAX8 Q06710 1/20 0.33
NPBWR1 P48145 2/20 0.32
MCHR1 Q99705 2/20 0.32
COMT P21964 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
SCHEMBL7089040 1.00 NOTUM (0.40) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7017303 0.88 NPC1 (0.37) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7092396 0.88 NPC1 (0.37) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7093369 0.87 NPC1 (0.37) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7013961 0.87 NPC1 (0.37) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7092603 0.84 NPBWR1 (0.38) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7023491 0.84 NPBWR1 (0.38) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7018209 0.83 ALDH1A1 (0.38) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7093687 0.83 ALDH1A1 (0.38) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1
SCHEMBL7094438 0.80 NPBWR1 (0.35) NOTUMSMN1; SMN2NPSR1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 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-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 NOTUM 936/4885SMN1; SMN2 4776/4885NPSR1 893/4885

“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.