SCHEMBL172001

SCHEMBL172001

CNC(=S)NC(=O)C1(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 3/20 0.50
THRB P10828 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 2/20 0.45
LMNA P02545 4/20 0.45
PKM P14618 1/20 0.45
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
P2RX7 Q99572 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
AKR1C1 Q04828 1/20 0.43
OPRL1 P41146 1/20 0.43
ELOVL1 Q9BW60 1/20 0.43
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL14019859 0.84 EPHX1 (0.56) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL14817498 0.83 SMN1; SMN2 (0.48) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL169873 0.83 ALDH1A1 (0.59) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL8572144 0.83 HDAC4 (0.59) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL17993499 0.80 HDAC4 (0.53) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL2363240 0.79 HDAC4 (0.59) HDAC4THRBALDH1A1HSD11B1LMNA
SCHEMBL13619974 0.79 ALDH1A1 (0.48) HDAC4THRBALDH1A1LMNASMN1; SMN2
SCHEMBL16639040 0.76 HDAC4 (0.71) HDAC4ALDH1A1LMNAHDAC1SMN1; SMN2
SCHEMBL7979818 0.75 HDAC4 (0.72) HDAC4ALDH1A1HSD11B1LMNAHDAC1
SCHEMBL12585752 0.75 HDAC4 (0.54) HDAC4THRBALDH1A1HSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed
US-8907091-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2014-12-09 US disclosed
US-8846927-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2014-09-30 US disclosed
US-8569503-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2013-10-29 US disclosed
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2013-06-27 US disclosed
US-8389541-B2 Inhibitors of protein tyrosine kinase activity METHYLGENE INC. (CA) 2013-03-05 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
EP-2426108-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MethylGene Inc. (CA) 2012-03-07 EP disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HDAC4 2863/4885THRB 1874/4885ALDH1A1 3152/4885
US-20130165477-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HDAC4 3893/4885THRB 1080/4885ALDH1A1 3139/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HDAC4 3893/4885THRB 1080/4885ALDH1A1 3139/4885

“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.