SCHEMBL129223

SCHEMBL129223

[CH2]c1cccc(C(=O)O)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
ALOX15 P16050 2/20 0.70
TSHR P16473 1/20 0.70
ACMSD Q8TDX5 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
LMNA P02545 3/20 0.48
GNE Q9Y223 1/20 0.47
KMT2A Q03164 2/20 0.46
MGAM O43451 1/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ECE1 P42892 1/20 0.43
MEN1 O00255 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 2/20 0.39

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
Dipicolinic Acid SCHEMBL34595 0.83 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL720696 0.83 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL890375 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL6556692 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL15659942 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL9491853 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL6561776 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL3732330 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL11294102 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL3974347 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US claimed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US claimed
WO-2017035114-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 WO claimed
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 US claimed
EP-3112352-A1 OPIOID RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2017-01-04 EP claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
EP-1725537-B1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-07-13 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
CN-1950342-A Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2007-04-18 CN claimed
US-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-01-31 US disclosed
EP-3112352-B1 OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-21 EP disclosed
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2018-11-06 US disclosed
CN-104955332-B The method of preventing and treating arthropod insect 住友化学株式会社 2017-03-29 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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (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-20190031618-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KDM4E 3213/4885ALOX15 2068/4885TSHR 777/4885
US-20170057929-A1 BENZIMIDAZOLE DERIVATIVES USEFUL AS CB-1 INVERSE AGONISTS CNR1, GPR119, CNR2 KDM4E 3224/4885ALOX15 2088/4885TSHR 771/4885
US-10118900-B2 Benzimidazole derivatives useful as CB-1 inverse agonists CNR1, GPR119, CNR2 KDM4E 3224/4885ALOX15 2088/4885TSHR 771/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 KDM4E 1902/4885ALOX15 81/4885TSHR 1420/4885

“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.