SCHEMBL5450434

SCHEMBL5450434

CCCC/C(=N\O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
CES2 O00748 3/20 0.52
CES1 P23141 3/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGLL Q99685 2/20 0.48
GAA P10253 1/20 0.47
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL5450436 1.00 PTGS2 (0.53) PTGS2CES2CES1MAPTMEN1
SCHEMBL27348181 0.94 KDM4E (0.57) PTGS2CES2CES1MAPTMEN1
SCHEMBL7418674 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL10783627 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL8903696 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL7418675 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL10783630 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL5995590 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL7924687 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA
SCHEMBL7984521 0.92 KDM4E (0.59) CES2CES1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
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
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
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 WO 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 PTGS2 1697/4885CES2 2446/4885CES1 3797/4885

“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.