SCHEMBL3418508

SCHEMBL3418508

O=C(NCCc1ccccc1)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 1.00
EPHX2 P34913 1/20 0.80
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MAPT P10636 1/20 0.62
P2RX7 Q99572 1/20 0.60
CA12 O43570 4/20 0.59
CA2 P00918 4/20 0.59
CA9 Q16790 4/20 0.59
CA1 P00915 3/20 0.59
CA4 P22748 2/20 0.59
CA5A P35218 2/20 0.59
CA7 P43166 2/20 0.59
CA14 Q9ULX7 2/20 0.59
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
KMT2A Q03164 1/20 0.58
MC4R P32245 1/20 0.58
CNR1 P21554 1/20 0.57

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
SCHEMBL6032606 0.92 EPHX1 (0.85) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL14923286 0.90 EPHX1 (0.81) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL8131627 0.90 EPHX1 (0.81) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL17117339 0.89 EPHX2 (1.00) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL714625 0.88 EPHX1 (0.77) EPHX1EPHX2SMN1; SMN2P2RX7MEN1
SCHEMBL6435482 0.86 EPHX2 (0.83) EPHX1EPHX2SMN1; SMN2P2RX7CA12
SCHEMBL16562237 0.86 EPHX1 (0.74) EPHX1EPHX2SMN1; SMN2NPC1RAB9A
SCHEMBL4888513 0.85 CA2 (0.82) EPHX1CA12CA2CA9CA1
SCHEMBL17117307 0.85 EPHX2 (0.80) EPHX1EPHX2NPC1RAB9AMAPT
SCHEMBL20673342 0.85 SMN1; SMN2 (0.81) EPHX1EPHX2SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229612-B1 USE OF FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2024-06-26 EP disclosed
EP-3229610-B1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS INC (US) 2021-06-09 EP disclosed
US-20200157055-A1 Prolyl Hydroxylase Inhibitors GLAXOSMITHKLINE LLC (US) 2020-05-21 US disclosed
US-10336711-B2 Prolyl hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2019-07-02 US disclosed
US-20190021380-A1 FLAVOR COMPOSITIONS AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-01-24 US disclosed
US-20180305323-A1 Prolyl Hydroxylase Inhibitors GLAXOSMITHKLINE LLC (US) 2018-10-25 US disclosed
US-10035779-B2 Prolyl hydroxylase inhibitors GlaxoSmithKline, LLC (US) 2018-07-31 US disclosed
EP-2037922-B9 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2017-08-23 EP disclosed
US-20160297772-A1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2016-10-13 US disclosed
CN-103664704-B A kind of synthetic N, the method for N '-disubstituted urea NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN 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-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
CN-103664704-A Method for synthesizing N,N'-disubstituent urea UNIV NANJING SCIENCE & TECH 2014-03-26 CN disclosed
EP-2037922-B1 PROLYL HYDROXYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-22 EP disclosed
US-8324208-B2 Prolyl hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-04 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-20100113444-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-05-06 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 (8 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 1/4885EPHX2 2/4885SMN1; SMN2 4860/4885
US-20100113444-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 893/4885SMN1; SMN2 3431/4885
US-10336711-B2 Prolyl hydroxylase inhibitors HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 902/4885SMN1; SMN2 3712/4885
US-20160297772-A1 PROLYL HYDROXYLASE INHIBITORS HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 902/4885SMN1; SMN2 3712/4885
US-20200157055-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 902/4885SMN1; SMN2 3712/4885
US-20180305323-A1 Prolyl Hydroxylase Inhibitors HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 902/4885SMN1; SMN2 3712/4885
US-10035779-B2 Prolyl hydroxylase inhibitors HIF1AN, EGLN3, EGLN2 EPHX1 635/4885EPHX2 902/4885SMN1; SMN2 3712/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885EPHX2 4/4885SMN1; SMN2 4865/4885

“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.