SCHEMBL2978779

SCHEMBL2978779

c1ccc(COc2ccc3[nH]c4c(c3c2)CCNC4)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
THRB P10828 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
RECQL P46063 1/20 0.63
PMP22 Q01453 1/20 0.63
HSD17B10 Q99714 1/20 0.63
MAPKAPK2 P49137 1/20 0.60
RAD52 P43351 1/20 0.56
KMT2A Q03164 1/20 0.56
NISCH Q9Y2I1 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTR5A P47898 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
MCHR1 Q99705 3/20 0.53
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 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
SCHEMBL31153237 0.91 MCHR1 (0.61) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL25634129 0.91 MCHR1 (0.61) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL1875671 0.90 NISCH (0.63) LMNACYP1A2CYP2D6THRBALOX15
SCHEMBL18870180 0.84 MCHR1 (0.75) MCHR1CYP3A4
SCHEMBL8316102 0.84 MAPKAPK2 (0.55) LMNAMAPKAPK2MCHR1MAOAMAOB
SCHEMBL8316089 0.84 MAPKAPK2 (0.55) LMNAMAPKAPK2KMT2AMCHR1MAOA
SCHEMBL25634009 0.81 MCHR1 (0.70) MAPKAPK2RAD52KMT2ANISCHMCHR1
SCHEMBL31153243 0.79 HRH3 (0.58) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL25634296 0.79 HRH3 (0.58) LMNACYP1A2CYP2D6ALOX15HSD17B10
SCHEMBL14924864 0.78 HSD17B10 (0.67) LMNACYP1A2CYP2D6THRBALOX15

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-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 LMNA 1126/4885CYP1A2 2392/4885CYP2D6 4120/4885

“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.