SCHEMBL2201592

SCHEMBL2201592

N#Cc1ccc(C2CCCC[N]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP19A1 P11511 9/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 1/20 0.38
GRIA4 P48058 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD11B1 P28845 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
EPHX1 P07099 1/20 0.36

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
SCHEMBL6982998 0.76 KDM1A (0.41) KDM1ANPC1RAB9A
SCHEMBL3153900 0.76 ALDH1A1 (0.37) CYP19A1KDM1AGRIA4NPC1RAB9A
SCHEMBL4766448 0.76 TAAR1 (0.41) MAOBKDM1AGRIA4
SCHEMBL186274 0.75 NOS1 (0.52) MAOAMAOBKCNH2KDM1A
SCHEMBL7794528 0.74 ALDH1A1 (0.40) CYP19A1GRIA4NPC1RAB9AEPHX1
SCHEMBL3173918 0.73 NOS1 (0.50) MAOAMAOBCYP11B2KCNH2KDM1A
SCHEMBL3559920 0.73 CYP2C19 (0.38) CYP19A1CYP11B2NPC1RAB9AEPHX1
SCHEMBL8542775 0.73 NOS1 (0.50) MAOAMAOBCYP11B2KCNH2KDM1A
SCHEMBL250894 0.72 MAOA (0.50) MAOAMAOBCYP19A1CYP11B1CYP11B2
SCHEMBL4179842 0.71 CYP19A1 (0.39) CYP19A1KDM1A

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-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 MAOA 1343/4885MAOB 700/4885CYP19A1 1908/4885

“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.