SCHEMBL5453071

SCHEMBL5453071

CCc1ccc([C@H](COC)NC(N)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
MAOA P21397 1/20 0.40
HPGD P15428 2/20 0.37
ATM Q13315 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PLAU P00749 1/20 0.34
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
RPS6KB1 P23443 2/20 0.33
KDM4E B2RXH2 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL5458231 0.88 ACACB (0.35) ATMMAPK1TAS1R3TAS1R1KMT2A
SCHEMBL5460600 0.83 RPS6KB1 (0.42) SMN1; SMN2MAPK1KMT2AMEN1LMNA
SCHEMBL5456091 0.83 MAPK1 (0.44) ATMMAPK1KMT2AMEN1
SCHEMBL5460826 0.83 MAPK1 (0.44) ATMMAPK1KMT2AMEN1
SCHEMBL5460850 0.83 TAS1R3 (0.48) HPGDTSHRMAPK1TAS1R3TAS1R1
SCHEMBL5460841 0.77 ESR1 (0.36) ATMKMT2AMEN1IDO1
SCHEMBL5462339 0.77 ESR1 (0.36) ATMKMT2AMEN1IDO1
SCHEMBL5468204 0.74 SLC2A1 (0.38)
SCHEMBL5451453 0.74 TP53 (0.38) SMN1; SMN2MAPK1TAS1R3TAS1R1KMT2A
SCHEMBL5455776 0.73 RPS6KB1 (0.37) MAPK1RPS6KB1

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-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands SANOFI-AVENTIS (FR) 2007-12-06 US disclosed
CN-1167692-C Aminothiazole derivatives and their use as CRF receptor ligands ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-09-22 CN disclosed
EP-1200419-B1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2004-04-14 EP disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 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 (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-20070281919-A1 Aminothiazole Derivatives And Their Use As CRF Receptor Ligands CRH, CRHR1, CRHR2 SMN1; SMN2 4326/4885MAOA 1298/4885HPGD 2488/4885

“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.