SCHEMBL462496

SCHEMBL462496

CCOC(=O)C(=O)c1c[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA1 P14867 2/20 0.45
GABRB2 P47870 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX12 P18054 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
SRC P12931 1/20 0.45
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL1559282 0.90 MEN1 (0.54) NPSR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL6030740 0.86 MEN1 (0.48) NPSR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL1994694 0.83 ALDH1A1 (0.58) ALDH1A1GABRA1GABRB2GABRB1GABRA3
SCHEMBL404920 0.83 LMNA (0.61) ALDH1A1HSD17B10GABRA1GABRB2GABRB1
SCHEMBL5498165 0.82 MEN1 (0.43) NPSR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL28289134 0.81 GABRA1 (0.70) MEN1ALDH1A1HPGDKMT2ATP53
SCHEMBL1993247 0.81 GABRA1 (0.67) GABRA1GABRB2GABRB1GABRA3
SCHEMBL404854 0.81 NR4A2 (0.60) GABRA1GABRB2GABRB1GABRA3
SCHEMBL28183396 0.80 MEN1 (0.50) NPSR1MEN1ALDH1A1HPGDKMT2A
SCHEMBL13727294 0.80 LMNA (0.64) NPSR1MEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NPSR1 86/4885MEN1 667/4885ALDH1A1 1909/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NPSR1 86/4885MEN1 667/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 NPSR1 86/4885MEN1 667/4885ALDH1A1 1909/4885

“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.