SCHEMBL880161

SCHEMBL880161

CC(C)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.60
MAPT P10636 10/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
POLB P06746 2/20 0.59
MCL1 Q07820 1/20 0.59
ALDH1A1 P00352 12/20 0.48
TDP1 Q9NUW8 1/20 0.48
TXNRD1 Q16881 1/20 0.47
TXNRD3 Q86VQ6 1/20 0.47
TXNRD2 Q9NNW7 1/20 0.47
LMNA P02545 1/20 0.46
KDM4E B2RXH2 6/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL24185740 0.86 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL13347464 0.86 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL29628001 0.86 SRC (0.66) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL31490482 0.86 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL668092 0.86 SRC (0.66) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL3328397 0.83 SRC (0.55) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL22927432 0.83 SRC (0.55) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL718255 0.82 MAPT (0.74) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL3325844 0.82 SRC (0.57) SRCMAPTMEN1KMT2AL3MBTL1
SCHEMBL11177694 0.82 SRC (0.60) SRCMAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4116313-A1 CAP ANALOG FOR THE 5'-END OF EUKARYOTIC MESSENGER RNAS Westfälische Wilhelms-Universität Münster (DE) 2023-01-11 EP disclosed
US-9832880-B2 Electronic apparatus and method for manufacturing the same Innolux Corporation (TW) 2017-11-28 US disclosed
US-20170088573-A1 GEMCITABINE ANALOGS NUCORION PHARMACEUTICALS, INC. 2017-03-30 US disclosed
US-9598713-B2 Method for constructing functional nucleic acid molecule, and nucleic acid combination to be used in said method JAPANESE SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-03-21 US disclosed
US-20150118713-A1 METHOD FOR CONSTRUCTING FUNCTIONAL NUCLEIC ACID MOLECULE, AND NUCLEIC ACID COMBINATION TO BE USED IN SAID METHOD JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-04-30 US disclosed
US-20140362545-A1 ELECTRONIC APPARATUS AND METHOD FOR MANUFACTURING THE SAME Innolux Corporation (TW) 2014-12-11 US disclosed
WO-2012038097-A1 USE OF A NEW CLASS OF NUCLEOTIDE SUGAR AS ANTIBIOTIC OR CYTOSTATIC AGENT Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2012-03-29 WO disclosed
EP-2433948-A1 Use of a new class of nucleotide sugar as antibiotic or cytostatic agent Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-03-28 EP disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-7807670-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM CANADA LTD. (CA) 2010-10-05 US disclosed
US-7713634-B2 Non-linear silicon compound, method of manufacturing oligomer probe array using the same, substrate for oligomer probe array with the same, and oligomer probe array with the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-05-11 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS YOAKIM CHRISTIANE 2010-02-18 US disclosed
US-7528167-B2 Inhibitors of papilloma virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-05-05 US disclosed
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-03-06 US 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-20100041649-A1 INHIBITORS OF PAPILLOMA VIRUS REV1, CDKN1A, RB1 SRC 1571/4885MAPT 4122/4885MEN1 1085/4885
US-20170088573-A1 GEMCITABINE ANALOGS GMNN, RNASE1, TGM3 SRC 2862/4885MAPT 3891/4885MEN1 729/4885
US-20080057322-A1 Non-Linear Silicon Compound, Method of Manufacturing Oligomer Probe Array Using the Same, Substrate For Oligomer Probe Array With the Same, and Oligomer Probe Array With the Same NONO, SPTBN1, SKIC8 SRC 1306/4885MAPT 438/4885MEN1 2387/4885

“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.