SCHEMBL1491603

SCHEMBL1491603

O=C(OC1CCCC1)[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM1A O60341 2/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43

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
SCHEMBL1491605 1.00 MEN1 (0.55) MEN1KMT2APOLBALDH1A1CYP2D6
SCHEMBL1491681 0.89 EPHX1 (0.46) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1491678 0.89 EPHX1 (0.46) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL1491527 0.88 POLB (0.49) POLBALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL1491524 0.88 POLB (0.49) POLBALDH1A1CYP2D6CYP2C9CYP2C19
SCHEMBL8248861 0.85 MEN1 (0.76) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL2279040 0.81 MEN1 (0.54) MEN1KMT2AEPHX1MMP2MMP9
SCHEMBL27723672 0.81 CYP2D6 (0.58) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL27723671 0.81 CYP2D6 (0.58) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL16690715 0.80 MEN1 (0.61) MEN1KMT2AALDH1A1CYP2D6CYP2C9

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 EP disclosed
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 US disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 US disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 EP disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (4 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP MEN1 4467/4885KMT2A 2500/4885POLB 3917/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP MEN1 4467/4885KMT2A 2500/4885POLB 3917/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP MEN1 4467/4885KMT2A 2500/4885POLB 3917/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP MEN1 4467/4885KMT2A 2500/4885POLB 3917/4885

“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.