SCHEMBL1840977

SCHEMBL1840977

O=C(NCC1CN(C(=O)O)C1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
CYP2D6 P10635 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 2/20 0.47
TP53 P04637 2/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL13739493 0.90 TPSAB1 (0.53) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL13741073 0.90 TPSAB1 (0.53) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL13740320 0.90 TPSAB1 (0.53) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL2766871 0.87 PREP (0.50) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL27714000 0.87 PREP (0.50) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL21248842 0.86 LMNA (0.56) LMNASMN1; SMN2HTTALDH1A1TGM2
SCHEMBL1240612 0.86 TPSAB1 (0.58) LMNASMN1; SMN2ALDH1A1F13A1TGM2
SCHEMBL19064100 0.85 LMNA (0.48) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL4305611 0.85 LMNA (0.48) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL19064099 0.85 LMNA (0.48) LMNASMN1; SMN2HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
CN-101959882-B Imidazole carbonyl compound DAIICHI SANKYO CO LTD 2013-09-11 CN disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 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 (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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A LMNA 948/4885SMN1; SMN2 4001/4885HTT 4384/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 LMNA 2517/4885SMN1; SMN2 1814/4885HTT 3918/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A LMNA 1119/4885SMN1; SMN2 3604/4885HTT 4571/4885

“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.