SCHEMBL7095596

SCHEMBL7095596

Cc1c(C(F)(F)F)cnn(-c2ccc(Cl)c(C=C(Cl)C(=O)OCCC#N)c2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 8/20 0.32
MCHR1 Q99705 7/20 0.32
CCR1 P32246 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PAX8 Q06710 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
TRPC3 Q13507 1/20 0.30
NOTUM Q6P988 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL7095595 1.00 NPBWR1 (0.32) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7094438 0.89 NPBWR1 (0.35) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7094437 0.89 NPBWR1 (0.35) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7093687 0.89 ALDH1A1 (0.38) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7018209 0.89 ALDH1A1 (0.38) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7092597 0.88 NPBWR1 (0.32) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7092596 0.88 NPBWR1 (0.32) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7092361 0.87 AGPAT2 (0.33) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7092357 0.87 AGPAT2 (0.33) NPBWR1MCHR1CCR1NPC1RAB9A
SCHEMBL7018601 0.86 NPC1 (0.34) NPBWR1MCHR1CCR1NPC1RAB9A

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 NPBWR1 371/4885MCHR1 1187/4885CCR1 373/4885

“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.