SCHEMBL2545467

SCHEMBL2545467

CC(C)c1cccc(C(C)C)c1Nc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 4/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KDM1A O60341 1/20 0.40
EPHX2 P34913 1/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL2378671 0.90 HDAC6 (0.47) HDAC6KDM1ALMNACYP1A2CYP3A4
SCHEMBL4808803 0.82 RAPGEF4 (0.48) KCNH3HDAC6KDM1ALMNACYP1A2
SCHEMBL5025966 0.82 LMNA (0.50) KCNH3HDAC6KDM1ALMNACYP1A2
SCHEMBL14199942 0.79 RECQL (0.48) KCNH3CA1CA2KMT2AMEN1
SCHEMBL812723 0.79 GABRA1 (0.52) LMNACYP1A2CYP3A4FAAHCA1
SCHEMBL12071030 0.78 ALDH1A1 (0.61) KCNH3KDM1ALMNAHPGDKMT2A
SCHEMBL3628547 0.78 KMT2A (0.53) HDAC6LMNACYP1A2CYP3A4FAAH
SCHEMBL18458442 0.77 HDAC6 (0.54) HDAC6LMNAGABRA1HPGDGABRB1
SCHEMBL16583962 0.75 HDAC6 (0.53) HDAC6LMNAHPGDKMT2ASMN1; SMN2
SCHEMBL21763812 0.75 RAPGEF4 (0.42) KCNH3HDAC6KDM1ALMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044082-B2 N-phenylacetamide inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-10-25 US disclosed
US-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-30 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-20100247583-A1 NOVEL N-PHENYLACETAMIDE INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, NAT1 KCNH3 4082/4885HDAC6 102/4885KDM1A 585/4885

“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.