SCHEMBL12335443

SCHEMBL12335443

O=C(NCCCCCCOc1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.57
▸ RHOC P08134 1/20 0.55
▸ RHOA P61586 1/20 0.55
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ MAPT P10636 4/20 0.54
▸ HTT P42858 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ XBP1 P17861 1/20 0.54
▸ EPHX1 P07099 3/20 0.52
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ NTRK1 P04629 1/20 0.51
▸ CDK19 Q9BWU1 1/20 0.51
▸ EPHX2 P34913 3/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.50
▸ GRIK1 P39086 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49

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
SCHEMBL12334456 0.87 CNR1 (0.63) CNR1RHOCRHOAMEN1KMT2A
SCHEMBL12335473 0.83 HTT (0.69) CNR1KMT2AMAPTHTTLMNA
SCHEMBL12334454 0.81 EPHX2 (0.59) CNR1KMT2ASMN1; SMN2EPHX2HRH3
SCHEMBL12336159 0.81 EPHX2 (0.52) CNR1RHOCRHOAMEN1KMT2A
SCHEMBL12335085 0.80 NPC1 (0.56) CNR1MEN1KMT2AHTTLMNA
SCHEMBL7814055 0.78 MEN1 (0.60) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5759619 0.77 MEN1 (0.61) MEN1KMT2AMAPTHTTLMNA
SCHEMBL21675567 0.77 TP53 (0.57) MEN1KMT2AMAPTHTTLMNA
SCHEMBL12335459 0.77 CNR1 (0.62) CNR1KMT2AHTTSMN1; SMN2EPHX1
SCHEMBL13737287 0.76 MAPT (0.64) CNR1MEN1KMT2AMAPTHTT

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 968/4885RHOC 1126/4885RHOA 338/4885
US-20120329786-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD47, CD4 CNR1 968/4885RHOC 1126/4885RHOA 338/4885

“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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