SCHEMBL7093008

SCHEMBL7093008

CCOC(=O)/C(Cl)=C/c1cc(-n2ncc(C(F)(F)F)cc2=O)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.44
CCR1 P32246 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
TRPC1 P48995 1/20 0.35
TRPC3 Q13507 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
STIM2 Q9P246 1/20 0.35
LMNA P02545 2/20 0.35
GPR35 Q9HC97 1/20 0.35
NPBWR1 P48145 3/20 0.35
MCHR1 Q99705 2/20 0.35

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
SCHEMBL7014533 1.00 ALDH1A1 (0.45) ALDH1A1HPGDCCR1MEN1KMT2A
SCHEMBL7094405 0.90 ALDH1A1 (0.34) ALDH1A1HPGDCCR1MEN1KMT2A
SCHEMBL7020529 0.89 NPBWR1 (0.37) ALDH1A1HPGDCCR1SMN1; SMN2HTT
SCHEMBL7113369 0.84 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7113367 0.84 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7018209 0.84 ALDH1A1 (0.38) ALDH1A1HPGDCCR1SMN1; SMN2NPSR1
SCHEMBL7093687 0.84 ALDH1A1 (0.38) ALDH1A1HPGDCCR1SMN1; SMN2NPSR1
SCHEMBL7089846 0.79 NPBWR1 (0.34) ALDH1A1HPGDCCR1MEN1KMT2A
SCHEMBL7089845 0.79 NPBWR1 (0.34) ALDH1A1HPGDCCR1MEN1KMT2A
SCHEMBL7933742 0.77 ALDH1A1 (0.38) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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 980/4885CCR1 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.