SCHEMBL12335459

SCHEMBL12335459

O=C(NCCCCCCOc1ccc(Cl)cc1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 6/20 0.62
▸ KMT2A Q03164 1/20 0.55
▸ EPHX2 P34913 1/20 0.55
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NAMPT P43490 1/20 0.54
▸ PPARA Q07869 1/20 0.53
▸ CASR P41180 2/20 0.52
▸ HTR3A P46098 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.51
▸ EPHX1 P07099 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HTT P42858 1/20 0.50

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 0.91 EPHX2 (0.59) CNR1KMT2AEPHX2NPC1RAB9A
SCHEMBL12335330 0.85 CNR1 (0.67) CNR1KMT2AEPHX2NPC1RAB9A
SCHEMBL12336147 0.85 EPHX2 (0.54) CNR1KMT2AEPHX2NAMPTHRH3
SCHEMBL14324509 0.83 CNR1 (0.65) CNR1KMT2AEPHX2RAB9ANAMPT
SCHEMBL2458026 0.83 IKBKB (0.65) CNR1KMT2AEPHX2SMN1; SMN2NAMPT
SCHEMBL12334456 0.82 CNR1 (0.63) CNR1KMT2AEPHX2HRH3
SCHEMBL12335085 0.82 NPC1 (0.56) CNR1KMT2AEPHX2NPC1RAB9A
SCHEMBL12335329 0.81 CNR1 (0.64) CNR1KMT2AEPHX2NPC1RAB9A
SCHEMBL12336159 0.81 EPHX2 (0.52) CNR1KMT2AEPHX2SMN1; SMN2NAMPT
Hydrochloric Acid SCHEMBL7077713 0.81 EPHX1 (0.61) KMT2AEPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2015-12-10 — — 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 (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-20150353538-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CNR1 968/4885KMT2A 3000/4885EPHX2 2024/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CNR1 968/4885KMT2A 3000/4885EPHX2 2024/4885

“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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