SCHEMBL1450996

SCHEMBL1450996

CN(C)C(=O)C=C1C(=O)Nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HTT P42858 2/20 0.69
LMNA P02545 2/20 0.69
TGM2 P21980 2/20 0.69
IDO1 P14902 1/20 0.69
NPSR1 Q6W5P4 3/20 0.69
MAPK1 P28482 3/20 0.69
PKM P14618 2/20 0.69
KDM4E B2RXH2 1/20 0.69
TDP1 Q9NUW8 3/20 0.56
HPGD P15428 2/20 0.56
CCNB2 O95067 1/20 0.56
CDK1 P06493 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNB3 Q8WWL7 1/20 0.56
ALOX12 P18054 1/20 0.56
EPHX2 P34913 1/20 0.55
PDGFRB P09619 3/20 0.54

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
SCHEMBL1450994 1.00 ALDH1A1 (0.69) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL9926479 0.82 TGM2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL30005115 0.82 TGM2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL3245042 0.80 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL3245039 0.80 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL30952119 0.80 MAPT (0.77) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL9926498 0.79 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL1925040 0.79 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL397664 0.78 SMN1; SMN2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTLMNA
SCHEMBL11892099 0.78 SMN1; SMN2 (1.00) ALDH1A1MAPTSMN1; SMN2HTTLMNA

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
EP-1908753-B1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARM CO LTD (JP) 2014-12-17 EP disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP 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 (3 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885MAPT 4758/4885SMN1; SMN2 1047/4885
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885MAPT 4346/4885SMN1; SMN2 3899/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885MAPT 4346/4885SMN1; SMN2 3899/4885

“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.