SCHEMBL5842880

SCHEMBL5842880

FNNc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.45
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
GAA P10253 6/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 6/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CES1 P23141 1/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
AGTR1 P30556 1/20 0.36

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
Hydrochloric Acid SCHEMBL4573403 0.97 PTGS2 (0.43) PTGS2LMNACYP2A6GAARAB9A
Sulfuric Acid SCHEMBL28375821 0.87 PTGS2 (0.46) PTGS2GAARAB9AKMT2AMEN1
SCHEMBL3260825 0.82 LMNA (0.57) PTGS2LMNACYP2A6GAARAB9A
SCHEMBL3989832 0.76 KMT2A (0.46) PTGS2LMNACYP2A6GAARAB9A
SCHEMBL3888571 0.74 LMNA (0.47) PTGS2LMNACYP2A6GAARAB9A
SCHEMBL2478806 0.74 ALDH1A1 (0.41) LMNAGAAKMT2AMEN1CA1
SCHEMBL2087066 0.72 CA1 (0.39) CA1CA2ALDH1A1TDP1
SCHEMBL8684818 0.72 ALDH1A1 (0.67) PTGS2LMNACYP2A6GAAKMT2A
Hydrochloric Acid SCHEMBL4371751 0.72 ALDH1A1 (0.39) LMNAGAAKMT2AMEN1CA1
SCHEMBL1758402 0.72 ALDH1A1 (0.46) PTGS2LMNACYP2A6GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 US disclosed
CN-1138762-C Phenylpyridazinones 2004-02-18 CN 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
CN-1192208-A Phenylpyridazinones BAYER AG (DE) 1998-09-02 CN disclosed
US-4033751-A 2-(Substituted-phenyl)-hexahydro- and tetrahydro-3-(2H)-cinnolinones as herbicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-07-05 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-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 PTGS2 983/4885LMNA 4189/4885CYP2A6 13/4885

“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.