SCHEMBL4245840

SCHEMBL4245840

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(Oc2ccccc2)nc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.77
ALOX5 P09917 1/20 0.61
TBXAS1 P24557 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
NPC1 O15118 1/20 0.46
TNF P01375 1/20 0.46
RAB9A P51151 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NTRK1 P04629 1/20 0.42
GAA P10253 1/20 0.42
LIPE Q05469 1/20 0.41
DEGS1 O15121 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL4248675 0.90 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252936 0.90 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248383 0.89 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701887 0.89 EPHX2 (0.74) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701999 0.88 EPHX2 (0.73) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL18996601 0.88 EPHX2 (0.58) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253940 0.86 EPHX2 (0.91) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246194 0.86 EPHX2 (0.80) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702014 0.86 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702020 0.84 EPHX2 (0.80) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. 2022-01-13 US disclosed
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2021-09-28 US disclosed
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders FROST BIOLOGIC, INC. 2020-12-24 US disclosed
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2020-09-15 US disclosed
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders FROST BIOLOGIC, INC. (US) 2018-07-10 US disclosed
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2017-06-22 US disclosed
WO-2015127284-A2 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS FROST BIOLOGIC, INC. (US) 2015-08-27 WO disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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 (7 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-20220008395-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885
US-10016398-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885
US-11129813-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885ALOX5 60/4885TBXAS1 221/4885
US-10772872-B2 Antimitotic amides for the treatment of cancer and proliferative disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885
US-20200397758-A1 Antimitotic Amides for the Treatment of Cancer and Proliferative Disorders CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885
US-20170172984-A1 ANTIMITOTIC AMIDES FOR THE TREATMENT OF CANCER AND PROLIFERATIVE DISORDERS CCNA1, CCNE1, CCNB1 EPHX2 4179/4885ALOX5 3719/4885TBXAS1 1898/4885

“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.