SCHEMBL2374882

SCHEMBL2374882

O=C(O)C(Cn1ccnc1)N(Cc1ccc(-c2ccccn2)cc1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
TBXAS1 P24557 4/20 0.39
CYP1A2 P05177 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR5A P47898 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL2375316 0.93 TRPV1 (0.40) CYP24A1TRPV1HTR5AHTR1ADRD2
SCHEMBL2375311 0.93 TRPV1 (0.40) CYP24A1TRPV1HTR5AHTR1ADRD2
SCHEMBL2375324 0.93 TRPV1 (0.40) CYP24A1TRPV1HTR5AHTR1ADRD2
SCHEMBL2375859 0.91 CYP26A1 (0.40) CYP24A1TRPV1TBXAS1CYP1A2USP2
SCHEMBL2375856 0.91 CYP26A1 (0.40) CYP24A1TRPV1TBXAS1CYP1A2USP2
SCHEMBL2376134 0.86 OPRK1 (0.40) TRPV1HTR2AHDAC1
SCHEMBL2376137 0.86 OPRK1 (0.40) TRPV1HTR2AHDAC1
SCHEMBL1124512 0.85 TRPV1 (0.42) TRPV1KMT2AHTR5AHTR1ADRD2
SCHEMBL1124509 0.85 TRPV1 (0.42) TRPV1KMT2AHTR5AHTR1ADRD2
SCHEMBL1124510 0.85 TRPV1 (0.42) TRPV1KMT2AHTR5AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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 (1 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 CYP24A1 3780/4885TRPV1 2628/4885TBXAS1 444/4885

“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.