SCHEMBL5641433

SCHEMBL5641433

O=C(Nc1ccncc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 13/20 1.00
▸ RAB9A P51151 10/20 0.71
▸ EPHX2 P34913 3/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ POLB P06746 1/20 0.68
▸ NPC1 O15118 8/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ GAA P10253 1/20 0.67
▸ TP53 P04637 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ NFKB2 Q00653 1/20 0.61
▸ RELA Q04206 1/20 0.61
▸ MAPT P10636 1/20 0.61

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
SCHEMBL13756244 0.88 EPHX1 (0.86) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL13756248 0.86 EPHX1 (0.83) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL14146983 0.84 EPHX1 (0.72) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL4266873 0.83 RAB9A (1.00) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL812273 0.83 RAB9A (1.00) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL10622326 0.83 EPHX1 (0.70) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL10625534 0.83 EPHX1 (0.70) EPHX1RAB9AEPHX2SMN1; SMN2POLB
SCHEMBL28648060 0.81 EPHX1 (0.68) EPHX1RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8391687 0.81 EPHX1 (1.00) EPHX1RAB9AEPHX2SMN1; SMN2NPC1
SCHEMBL12196184 0.81 EPHX1 (1.00) EPHX1RAB9AEPHX2SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 — — US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 — — US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 — — US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 — — US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 — — US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 — — US disclosed
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 — — US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 — — US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 — — 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 (3 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-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885RAB9A 3498/4885EPHX2 2/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885RAB9A 3871/4885EPHX2 4/4885
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 EPHX1 418/4885RAB9A 593/4885EPHX2 512/4885

“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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