SCHEMBL5844822

SCHEMBL5844822

Cc1cnn(-c2cc(N)c(Cl)cc2Cl)c(=O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.35
NPC1 O15118 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
XBP1 P17861 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
NPBWR1 P48145 4/20 0.34
MCHR1 Q99705 2/20 0.34
TP53 P04637 1/20 0.33
PFKFB3 Q16875 1/20 0.33
PAX8 Q06710 3/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL5843172 0.79 PKM (0.41) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5844651 0.79 LMNA (0.48) NPSR1NPBWR1PFKFB3LMNAL3MBTL1
SCHEMBL4063236 0.79 HTT (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7754483 0.75 MAPT (0.35) RAB9ANPC1MAPTALDH1A1HTT
SCHEMBL4060284 0.73 RAB9A (0.47) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5843735 0.69 HTT (0.45) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6979611 0.68 GAA (0.33) RAB9ANPC1NPBWR1MCHR1PAX8
SCHEMBL11098516 0.67 HIF1A (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5842939 0.65 RAB9A (0.70) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL3342417 0.65 CA12 (0.38) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 US disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 EP disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 WO disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 EP disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 RAB9A 2247/4885NPC1 4089/4885SMN1; SMN2 4323/4885

“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.