SCHEMBL12196178

SCHEMBL12196178

O=C(Nc1ccc(Br)cc1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 13/20 1.00
▸ RAB9A P51151 10/20 1.00
▸ NPC1 O15118 8/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ EPHX2 P34913 4/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ CYP2C9 P11712 1/20 0.71
▸ CYP2C19 P33261 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ LMNA P02545 1/20 0.67
▸ TP53 P04637 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ NFKB2 Q00653 1/20 0.66
▸ RELA Q04206 1/20 0.66

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
SCHEMBL1419042 0.91 EPHX1 (0.84) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL13756244 0.91 EPHX1 (0.86) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL13756248 0.89 EPHX1 (0.83) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL12196184 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL8391687 0.85 EPHX1 (1.00) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL24988039 0.83 EPHX1 (0.73) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL3865925 0.83 EPHX1 (1.00) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL813709 0.83 EPHX1 (1.00) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL12196168 0.83 RAB9A (1.00) EPHX1RAB9ANPC1MEN1KMT2A
SCHEMBL4319424 0.83 EPHX1 (1.00) EPHX1RAB9ANPC1MEN1KMT2A

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3498/4885NPC1 2648/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885RAB9A 3871/4885NPC1 3309/4885

“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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