SCHEMBL21394036

SCHEMBL21394036

CC(C)NC(=O)CC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FAAH O00519 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
VHL P40337 1/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL5909175 0.83 MEN1 (0.52) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL3313335 0.80 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL40805 0.80 MEN1 (0.50) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL17531327 0.80 MEN1 (0.42) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL8229956 0.80 MEN1 (0.52) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL13368149 0.78 MEN1 (0.61) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL21617351 0.77 RXFP1 (0.44) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL14458150 0.77 MAPK1 (0.44) MEN1KMT2AFAAHMAPK1TSHR
SCHEMBL2363846 0.77 CYP3A4 (0.43) MEN1KMT2ACA1CA2ALDH1A1
SCHEMBL3467870 0.77 FAAH (0.70) MEN1KMT2AFAAHMAPK1HPGD

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
CN-100577663-C Fused heterocyclic kinase inhibitors BRISTOL MYERS SQUIBB CO 2010-01-06 CN claimed
CN-1051733-A Acyl-CoA: cholesteryl transferase inhibitor WARNER LAMBERT CO (US) 1991-05-29 CN claimed
EP-4144782-A1 POLYMERIC SOLUBLE SUPPORT, PROCESS FOR THE SYNTHESIS THEREOF AND USES THEREOF Synhelix (FR) 2023-03-08 EP disclosed
US-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase Phenex Discovery Verwaltungs-GmbH (DE) 2021-08-03 US disclosed
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-09-26 US disclosed
CN-103460086-B Color composition for color filter and colour filter TOYO INK SC HOLDINGS CO.,LTD. (JP) 2016-05-18 CN disclosed
CN-103460086-A Colored composition for color filters, and color filters TOYO INK SC HOLDINGS CO LTD 2013-12-18 CN disclosed
CN-101111470-A Crystalline acat (acyl-coa:cholesterol o-acyltransferase) inhibitor WARNER LAMBERT CO (US) 2008-01-23 CN 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-11078168-B2 Substituted N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT MEN1 893/4885KMT2A 654/4885FAAH 281/4885
US-20190292160-A1 SUBSTITUTED N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT MEN1 893/4885KMT2A 654/4885FAAH 281/4885

“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.