SCHEMBL6233653

SCHEMBL6233653

CCCNc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.50
ICMT O60725 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
EPHX2 P34913 1/20 0.44
SYK P43405 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
P2RX1 P51575 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL6232362 0.89 ICMT (0.46) PIM1ICMTNPC1RAB9ASLC22A12
SCHEMBL5177248 0.88 ICMT (0.46) PIM1ICMTNPC1RAB9ASLC22A12
SCHEMBL2096490 0.88 ICMT (0.45) PIM1ICMTNPC1RAB9ASLC22A12
SCHEMBL2097550 0.87 PIM1 (0.43) PIM1ICMTMAPTHTTMTNR1A
Hydrochloric Acid SCHEMBL14744123 0.87 ICMT (0.46) PIM1ICMTNPC1RAB9ASLC22A12
SCHEMBL6232154 0.82 CHRNA7 (0.42) PIM1RAB9AEPHX2MAPTHTT
SCHEMBL12932847 0.82 ICMT (0.47) PIM1ICMTNPC1RAB9ASLC22A12
SCHEMBL27949208 0.81 SYK (0.48) ICMTNPC1RAB9ASLC22A12EPHX2
SCHEMBL2090211 0.81 MTNR1B (0.62) ICMTNPC1RAB9AALDH1A1GAA
SCHEMBL734644 0.81 ICMT (0.44) ICMTNPC1RAB9ASLC22A12EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656956-B2 Benzene, pyridine, and pyridazine derivatives ESANEX, INC. (US) 2017-05-23 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1530562-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME Central Glass Company, Limited (JP) 2005-05-18 EP disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
WO-2004022521-A1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS COMPANY, LIMITED (JP) 2004-03-18 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 (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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 PIM1 2621/4885ICMT 4360/4885NPC1 1197/4885

“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.