SCHEMBL4884072

SCHEMBL4884072

CC(=O)c1ccc(OCCN(C)Cc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
ATM Q13315 1/20 0.62
MAOB P27338 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
BCHE P06276 5/20 0.59
ACHE P22303 4/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL14569771 0.90 TSHR (0.69) TSHRATMMEN1KMT2ABCHE
SCHEMBL14569696 0.88 TSHR (0.66) TSHRATMMEN1KMT2ABCHE
SCHEMBL6335583 0.86 MAOB (0.60) TSHRMAOBMEN1KMT2ABCHE
SCHEMBL14087166 0.86 MAOB (0.63) MAOBKMT2ABCHEACHESMN1; SMN2
SCHEMBL4877516 0.85 TSHR (0.63) TSHRATMMAOBMEN1KMT2A
SCHEMBL20249532 0.85 TSHR (0.63) TSHRATMMEN1KMT2ABCHE
SCHEMBL16384274 0.85 TSHR (0.66) TSHRATMMAOBMEN1KMT2A
SCHEMBL4876506 0.84 TSHR (0.57) TSHRATMMEN1KMT2ABCHE
SCHEMBL17682060 0.83 TSHR (0.81) TSHRATMMAOBMEN1KMT2A
SCHEMBL15226786 0.82 TSHR (0.75) TSHRATMMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 US disclosed
EP-1819669-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2007-08-22 EP disclosed
WO-2006063294-A2 NOVEL INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2006-06-15 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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 TSHR 3237/4885ATM 2436/4885MAOB 338/4885

“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.