SCHEMBL128918

SCHEMBL128918

CCOC(=O)c1c[c]sc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 4/20 0.41
HTT P42858 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL27735637 0.81 TSHR (0.46) NPC1MAPTRAB9ATSHRHTT
SCHEMBL127342 0.74 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL1451262 0.71 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL87450 0.71 CA1 (0.83) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.71 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL3659417 0.70 DAO (0.65) CA12CA1CA2CA7CA9
SCHEMBL23202358 0.70 DAO (0.50) CA12CA1CA2CA7CA9
SCHEMBL128889 0.69 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3021302 0.69 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL21440358 0.69 CA1 (0.79) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
CN-1263746-C Pyridazinone derivatives NIHON NOHYAKU CO LTD (JP) 2006-07-12 CN disclosed
US-6469003-B1 COMPOUNDS HAVING CELL ADHESION INHIBITING ACTIVITY NIHON NOHYAKU CO., LTD. (JP) 2002-10-22 US disclosed
CN-1323297-A Pyridazinone derivatives NIHON NOHYAKU CO LTD (JP) 2001-11-21 CN disclosed
EP-1130015-A1 PYRIDAZINONE DERIVATIVES Nihon Nohyaku Co., Ltd. (JP) 2001-09-05 EP disclosed
US-4056544-A Anthraquinone compounds BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CA12 2239/4885CA1 2208/4885CA2 1429/4885

“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.