SCHEMBL130391

SCHEMBL130391

[CH2]c1cccc(OCC)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.49
BTK Q06187 1/20 0.45
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA1 P14867 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
ADORA1 P30542 2/20 0.36
HTR7 P34969 1/20 0.36
NQO1 P15559 1/20 0.36
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL2525163 0.84 MAPK8 (0.56) MAPK8BTKGABRG2GABRB3GABRA5
SCHEMBL10544866 0.82 LTA4H (0.50) ALDH1A1NPC1MAPK1RAB9ANQO1
SCHEMBL16511922 0.78 BTK (0.65) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL130392 0.77 MAPK8 (0.50) MAPK8BTKGABRA5ALDH1A1NPC1
SCHEMBL12093509 0.77 GRM5 (0.50) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL126589 0.76 MAPK8 (0.46) MAPK8BTKGABRG2GABRB3GABRA5
SCHEMBL128704 0.76
SCHEMBL25097014 0.75 MAPK8 (0.49) MAPK8BTKALDH1A1NPC1MAPK1
SCHEMBL9928723 0.75 MAPK8 (0.49) MAPK8BTKGABRG2GABRB3GABRA5
SCHEMBL7161 0.75 HTR7 (0.61) MAPK8BTKGABRG2GABRB3GABRA5

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 12 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
EP-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US 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
EP-1560827-A1 ANTI-INFECTIVE AGENTS Abbott Laboratories (US) 2005-08-10 EP disclosed
US-20050075331-A1 Anti-infective agents ABBOTT LABORATORIES 2005-04-07 US disclosed
US-20040167123-A1 Anti-infective agents ABBVIE INC. 2004-08-26 US disclosed
US-20040162285-A1 Anti-infective agents ABBOTT LABORATORIES 2004-08-19 US disclosed
WO-2004041818-A1 ANTI-INFECTIVE AGENTS ABBOTT LABORATORIES (US) 2004-05-21 WO 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 (4 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-20040162285-A1 Anti-infective agents POLR1C, RPL5, POLB MAPK8 2163/4885BTK 3907/4885GABRG2 3877/4885
US-20040167123-A1 Anti-infective agents SERPINB1, CYP51A1, ZC3HAV1 MAPK8 2372/4885BTK 3992/4885GABRG2 4554/4885
US-20050075331-A1 Anti-infective agents RPL35, POLI, POLRMT MAPK8 2580/4885BTK 3711/4885GABRG2 4354/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPK8 4459/4885BTK 1296/4885GABRG2 1240/4885

“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.