SCHEMBL498477

SCHEMBL498477

[CH2]CCc1nc(-c2nccs2)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 1/20 0.44
▸ SPHK1 Q9NYA1 1/20 0.44
▸ CYP1A1 P04798 13/20 0.41
▸ CYP1A2 P05177 13/20 0.41
▸ CYP1B1 Q16678 13/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ NPY5R Q15761 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CFTR P13569 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
SCHEMBL6558073 0.79 SPHK2 (0.46) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL357852 0.72 — —
SCHEMBL31374411 0.71 HSP90AA1 (0.56) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL11614665 0.71 SPHK2 (0.51) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL13093801 0.69 SPHK2 (0.58) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL9195334 0.66 SPHK2 (0.50) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL6558320 0.66 SPHK2 (0.46) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL6558546 0.66 SPHK2 (0.46) SPHK2SPHK1CYP1A1CYP1A2CYP1B1
SCHEMBL102331 0.63 PDPK1 (0.59) HSP90AA1LOXL2RAB9AALDH1A1TSHR
SCHEMBL29654070 0.62 HSP90AA1 (0.50) SPHK2SPHK1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 — — EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 — — US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 — — US disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 — — EP 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT SPHK2 1114/4885SPHK1 829/4885CYP1A1 2150/4885

“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.

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