SCHEMBL4523190

SCHEMBL4523190

COC(=O)CCc1cccc(NC(N)=S)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.60
ALDH1A1 P00352 4/20 0.56
BRD4 O60885 1/20 0.51
CYP1A2 P05177 2/20 0.49
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 3/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 2/20 0.47
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44
AOC3 Q16853 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL30488135 0.86 ALDH1A1 (0.58) SIRT2ALDH1A1CYP1A2KMT2AMAPT
SCHEMBL25269919 0.86 ALDH1A1 (0.58) SIRT2ALDH1A1CYP1A2KMT2AMAPT
SCHEMBL28053146 0.84 SIRT2 (0.57) SIRT2ALDH1A1BRD4CYP1A2KMT2A
SCHEMBL4512426 0.82 EPHX2 (0.52) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL3193808 0.82 SIRT2 (0.62) SIRT2ALDH1A1BRD4MAPTITGB3
SCHEMBL12255324 0.81 ALDH1A1 (0.58) SIRT2ALDH1A1BRD4CYP1A2KMT2A
SCHEMBL12255382 0.81 MTNR1B (0.56) SIRT2ALDH1A1BRD4KMT2AMAPT
SCHEMBL16092739 0.80 SIRT2 (0.53) SIRT2ALDH1A1KMT2AMAPTMEN1
SCHEMBL3929633 0.78 SIRT2 (0.52) SIRT2ALDH1A1BRD4MAPTCYP3A4
SCHEMBL20339354 0.78 SIRT2 (0.57) SIRT2ALDH1A1BRD4MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 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 (2 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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB SIRT2 2977/4885ALDH1A1 234/4885BRD4 2168/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC SIRT2 3442/4885ALDH1A1 174/4885BRD4 3500/4885

“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.