SCHEMBL4762514

SCHEMBL4762514

[O-][n+]1cccc(Oc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 1/20 0.41
SOS1 Q07889 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
BCAT2 O15382 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NR1H2 P55055 1/20 0.38
BAX Q07812 1/20 0.38
MAOA P21397 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4923326 0.74
SCHEMBL10320581 0.70 BCAT2 (0.41) LTA4HTSHRSOS1SMN1; SMN2NPC1
SCHEMBL2521152 0.69 LTA4H (0.58) LTA4HTSHRSMN1; SMN2NPC1CYP1A2
SCHEMBL1680656 0.66 LTA4H (0.60) LTA4HTSHRSOS1SMN1; SMN2HTT
SCHEMBL8941551 0.66 PTGS2 (0.54) SOS1SMN1; SMN2HTTALDH1A1KDM4E
SCHEMBL7263349 0.65 LTA4H (0.52) LTA4HTSHRSOS1SMN1; SMN2HTT
SCHEMBL3893562 0.65 LTA4H (0.92) LTA4HTSHRSOS1NPC1RAB9A
SCHEMBL22129853 0.65 LTA4H (0.92) LTA4HTSHRSOS1NPC1RAB9A
SCHEMBL122719 0.65 LTA4H (0.92) LTA4HTSHRSOS1NPC1RAB9A
SCHEMBL11576945 0.65 LTA4H (0.92) LTA4HTSHRSOS1NPC1RAB9A

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-8552182-B2 Method for producing a 3-(substituted-oxy)-4-pyridazinol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-10-08 US disclosed
US-20120184736-A1 METHOD FOR PRODUCING A 3-(SUBSTITUTED-OXY)-4-PYRIDAZINOL DERIVATIVE MITSUI CHEMICALS AGRO, INC (JP) 2012-07-19 US disclosed
JP-2008239532-A METHOD FOR PRODUCING 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE SANKYO AGRO KK 2008-10-09 JP 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-20120184736-A1 METHOD FOR PRODUCING A 3-(SUBSTITUTED-OXY)-4-PYRIDAZINOL DERIVATIVE CYP4F3, CYP4F2, PNPO LTA4H 1191/4885TSHR 1799/4885SOS1 4207/4885

“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.