SCHEMBL20550433

SCHEMBL20550433

CCCCc1ccc(-c2nc(C)c(-c3ccnc(N4CCCC4)n3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
KCNH2 Q12809 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
COMT P21964 2/20 0.37
ACHE P22303 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
RAB9A P51151 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20550308 0.82 KDM4E (0.36) HRH3KCNH2KDM4EMAPTHTT
SCHEMBL20550274 0.80 COMT (0.41) HRH3KCNH2KDM4EMAPTCOMT
SCHEMBL20550293 0.80 CDK4 (0.54) KDM4EMAPTCOMTRAB9AGLA
SCHEMBL20550262 0.80 TNF (0.39) HRH3KCNH2KDM4ECOMTRAB9A
SCHEMBL20550291 0.79 CDK2 (0.46) COMTIKBKBCHUKAURKACDK4
SCHEMBL20550693 0.78 KDM4E (0.40) KDM4EMAPTCOMTRAB9AGLA
SCHEMBL20550428 0.78 CDK2 (0.41) KDM4ECOMTRAB9AIKBKBCHUK
SCHEMBL20550442 0.77 COMT (0.39) KDM4EMAPTCOMTRAB9AIKBKB
SCHEMBL20550696 0.75 MKNK2 (0.39) KDM4ECOMTRAB9AIKBKBCHUK
SCHEMBL20550326 0.75 ALDH1A1 (0.47) HRH3KCNH2KDM4EMAPTHTT

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-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP HRH3 3260/4885KCNH2 3445/4885KDM4E 1008/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP HRH3 3337/4885KCNH2 3744/4885KDM4E 938/4885

“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.