SCHEMBL12336159

SCHEMBL12336159

O=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccc(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.52
▸ CNR1 P21554 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CCR3 P51677 1/20 0.50
▸ SLC6A3 Q01959 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NAMPT P43490 1/20 0.48
▸ EPHX1 P07099 3/20 0.48
▸ HRH3 Q9Y5N1 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RHOC P08134 1/20 0.46
▸ RHOA P61586 1/20 0.46

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
SCHEMBL12334454 0.89 EPHX2 (0.59) EPHX2CNR1SLC6A3KMT2ANAMPT
SCHEMBL12335085 0.87 NPC1 (0.56) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL12335330 0.83 CNR1 (0.67) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL12336147 0.83 EPHX2 (0.54) EPHX2CNR1SLC6A3KMT2ANAMPT
SCHEMBL12334456 0.82 CNR1 (0.63) EPHX2CNR1SLC6A3MEN1KMT2A
SCHEMBL12335443 0.81 CNR1 (0.57) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL14324509 0.81 CNR1 (0.65) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL12335459 0.81 CNR1 (0.62) EPHX2CNR1KMT2ANAMPTEPHX1
SCHEMBL2458026 0.81 IKBKB (0.65) EPHX2CNR1LMNAMEN1KMT2A
SCHEMBL12335473 0.81 HTT (0.69) EPHX2CNR1LMNAKMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2016-12-22 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
US-8912184-B1 Therapeutic and diagnostic methods ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-12-16 — — US disclosed
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2013-11-28 — — US disclosed
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-12-27 — — US disclosed
WO-2011109441-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2011-09-09 — — 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 (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-20160367541-A1 THERAPEUTIC AND DIAGNOSTIC METHODS NAMPT, NAPRT, NNT EPHX2 1866/4885CNR1 1809/4885LMNA 1146/4885
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 EPHX2 2024/4885CNR1 968/4885LMNA 4409/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 EPHX2 2024/4885CNR1 968/4885LMNA 4409/4885
US-20130317027-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 EPHX2 2024/4885CNR1 968/4885LMNA 4409/4885

“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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