SCHEMBL3479747

SCHEMBL3479747

CN(C)/C=C1\CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAP1LC3B Q9GZQ8 3/20 0.38
ALDH1A1 P00352 8/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
SMARCA4 P51532 1/20 0.34
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNN4 O15554 1/20 0.32
LMNA P02545 1/20 0.31
CYP2B6 P20813 1/20 0.30

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
SCHEMBL1528434 1.00 KDM4E (0.39) KDM4EMEN1KMT2AMAP1LC3BALDH1A1
SCHEMBL1528435 1.00 KDM4E (0.39) KDM4EMEN1KMT2AMAP1LC3BALDH1A1
SCHEMBL4399007 0.87 SMARCA4 (0.40) KDM4EMEN1KMT2AMAP1LC3BALDH1A1
SCHEMBL4399005 0.87 SMARCA4 (0.40) KDM4EMEN1KMT2AMAP1LC3BALDH1A1
SCHEMBL4959354 0.79 ALDH1A1 (0.30) ALDH1A1CYP2B6
SCHEMBL2365159 0.75 KDM4E (0.32) KDM4EMEN1KMT2A
SCHEMBL27759725 0.70 MAP1LC3B (0.33) MAP1LC3BALDH1A1GAARECQL
SCHEMBL5375288 0.67 MAP1LC3B (0.35) KDM4EMEN1KMT2AMAP1LC3BALDH1A1
SCHEMBL3733271 0.66 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3733266 0.66 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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
EP-2094081-B1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-07-11 EP disclosed
US-7855206-B2 Tricyclic heteroaromatic compounds as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-12-21 US disclosed
US-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
EP-2094081-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2009-09-02 EP disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 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-20100056550-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 KDM4E 1806/4885MEN1 3965/4885KMT2A 2749/4885

“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.