SCHEMBL131219

SCHEMBL131219

Cc1cccnc1C(C)(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
KDM4E B2RXH2 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL19817326 0.84 SSTR4 (0.45) SSTR4NPC1RAB9AHTTATM
SCHEMBL20250121 0.84 SSTR4 (0.45) SSTR4NPC1RAB9AHTTATM
SCHEMBL31254559 0.80 KDM4E (0.40) L3MBTL1LMNANAPRTP4HTMKDM4E
SCHEMBL30628207 0.80 SSTR4 (0.42) SSTR4NPC1RAB9AHTTATM
SCHEMBL26622744 0.80 NAPRT (0.42) HTTL3MBTL1LMNANAPRTKDM4E
SCHEMBL365596 0.80 SMN1; SMN2 (0.42) HTTLMNAKDM4ESMN1; SMN2KMT2A
SCHEMBL131218 0.80 KDM4E (0.36) SSTR4L3MBTL1LMNANAPRTP4HTM
SCHEMBL17420642 0.80 SSTR4 (0.42) SSTR4NPC1RAB9AHTTATM
SCHEMBL29700926 0.80 NAPRT (0.42) HTTL3MBTL1LMNANAPRTKDM4E
SCHEMBL31446689 0.77 CA12 (0.42) NPC1RAB9ALMNAKDM4ESMN1; SMN2

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
WO-2018107056-A1 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-06-14 WO disclosed
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

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 SSTR4 967/4885NPC1 1907/4885RAB9A 2999/4885

“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.