SCHEMBL7018601

SCHEMBL7018601

C=CCOC(=O)C(Cl)=Cc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPBWR1 P48145 7/20 0.33
MCHR1 Q99705 6/20 0.33
LMNA P02545 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CCR1 P32246 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NOTUM Q6P988 1/20 0.31
TRPC3 Q13507 1/20 0.31

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
SCHEMBL7091200 1.00 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7093687 0.91 ALDH1A1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7018209 0.91 ALDH1A1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7094437 0.88 NPBWR1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7094438 0.88 NPBWR1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7092603 0.87 NPBWR1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2NPBWR1
SCHEMBL7023491 0.87 NPBWR1 (0.38) NPC1RAB9AALDH1A1SMN1; SMN2NPBWR1
SCHEMBL7089845 0.87 NPBWR1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7092361 0.87 AGPAT2 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL7092357 0.87 AGPAT2 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2CYP1A2

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 3 patents. 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
EP-1272476-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001079183-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO 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 NPC1 3803/4885RAB9A 3701/4885ALDH1A1 439/4885

“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.