SCHEMBL2837445

SCHEMBL2837445

C=C(N)Cc1cc[nH]c(=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PPARG P37231 1/20 0.37
RIN1 Q13671 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
NOTUM Q6P988 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
ALDH2 P05091 7/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
VNN1 O95497 1/20 0.32
GRM8 O00222 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL4604293 0.83 CA2 (0.44) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL7657773 0.76 ALDH2 (0.40) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL2595424 0.74
SCHEMBL1161397 0.74
SCHEMBL9686886 0.74
SCHEMBL18460841 0.73 NSD2 (0.36) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL4601886 0.73 CAPN1 (0.56) NSD2ABL1PPARGRIN1L3MBTL1
Hydrochloric Acid SCHEMBL3568937 0.72 GAA (0.46) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL21550134 0.71 ALDH1A1 (0.49) NSD2ABL1PPARGRIN1L3MBTL1
SCHEMBL10056852 0.71 CYP2C9 (0.47) GPR84ALDH2VNN1HPGDS

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-20100298270-A1 Novel Compounds and Methods of Using Them SYNDAX PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
WO-2009015203-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-01-29 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-20100298270-A1 Novel Compounds and Methods of Using Them HDAC1, HDAC3, HDAC6 NSD2 134/4885ABL1 3223/4885PPARG 204/4885

“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.