SCHEMBL7093687

SCHEMBL7093687

CCOC(=O)/C(Cl)=C/c1cc(-n2ncc(C(F)(F)F)c(C)c2=O)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.37
NPBWR1 P48145 6/20 0.36
MCHR1 Q99705 5/20 0.36
TRPC3 Q13507 2/20 0.35
TRPC1 P48995 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
STIM2 Q9P246 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
PAX8 Q06710 1/20 0.34
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7018209 1.00 ALDH1A1 (0.38) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7089845 0.94 NPBWR1 (0.34) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7089846 0.94 NPBWR1 (0.34) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7091200 0.91 NPC1 (0.34) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7018601 0.91 NPC1 (0.34) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7094438 0.91 NPBWR1 (0.35) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7094437 0.91 NPBWR1 (0.35) ALDH1A1HPGDNPBWR1MCHR1TRPC3
SCHEMBL7023491 0.91 NPBWR1 (0.38) ALDH1A1NPBWR1MCHR1TRPC3NPSR1
SCHEMBL7092603 0.91 NPBWR1 (0.38) ALDH1A1NPBWR1MCHR1TRPC3NPSR1
SCHEMBL7092361 0.90 AGPAT2 (0.33) ALDH1A1HPGDNPBWR1MCHR1TRPC3

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 ALDH1A1 439/4885HPGD 980/4885NPBWR1 371/4885

“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.