SCHEMBL7017303

SCHEMBL7017303

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PAX8 Q06710 2/20 0.37
NOTUM Q6P988 2/20 0.37
CCR1 P32246 1/20 0.36
NPBWR1 P48145 6/20 0.36
MCHR1 Q99705 5/20 0.36
COMT P21964 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TRPC3 Q13507 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 0.33
HTT P42858 1/20 0.33
PTGES O14684 1/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL7092396 1.00 NPC1 (0.37) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7093369 0.93 NPC1 (0.37) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7013961 0.93 NPC1 (0.37) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7023491 0.90 NPBWR1 (0.38) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7092603 0.90 NPBWR1 (0.38) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7093687 0.88 ALDH1A1 (0.38) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7018209 0.88 ALDH1A1 (0.38) NPC1RAB9APAX8NOTUMCCR1
SCHEMBL7089043 0.88 NOTUM (0.40) NPC1RAB9APAX8NOTUMNPBWR1
SCHEMBL7089040 0.88 NOTUM (0.40) NPC1RAB9APAX8NOTUMNPBWR1
SCHEMBL7018601 0.85 NPC1 (0.34) NPC1RAB9APAX8NOTUMCCR1

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 3701/4885PAX8 2573/4885

“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.