SCHEMBL12376675

SCHEMBL12376675

CC(C)(C)NC(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
HDAC1 Q13547 3/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KDM4E B2RXH2 2/20 0.54
RECQL P46063 1/20 0.54
KEAP1 Q14145 1/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.51
HDAC3 O15379 1/20 0.51
P2RX7 Q99572 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL12376676 0.89 HDAC1 (0.64) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL13611937 0.86 HDAC1 (0.66) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL11118046 0.84 HDAC2 (0.56) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL20515294 0.84 MMP2 (0.55) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL14019854 0.84 ALDH1A1 (0.60) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1726384 0.84 HDAC2 (0.57) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL24465203 0.83 SMN1; SMN2 (0.55) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL18759281 0.83 SMN1; SMN2 (0.55) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL17537278 0.82 PSMB5 (0.48) HDAC2HDAC8HDAC6MAPTNPC1
SCHEMBL2581112 0.82 TPSAB1 (0.47) HDAC2HDAC8HDAC6MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211885-B1 COMBINATION THERAPY WITH ANTIBODY-DRUG CONJUGATES SEATTLE GENETICS INC (US) 2015-07-29 EP disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (5 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC HDAC2 2683/4885HDAC8 3449/4885HDAC6 2467/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 HDAC2 2107/4885HDAC8 3010/4885HDAC6 2092/4885
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX HDAC2 2043/4885HDAC8 1490/4885HDAC6 3863/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 HDAC2 2107/4885HDAC8 3010/4885HDAC6 2092/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 HDAC2 3576/4885HDAC8 3473/4885HDAC6 3809/4885

“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.