SCHEMBL1101311

SCHEMBL1101311

C=Cc1ccc(/C=N/c2ccc(C=C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TP53 P04637 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
THRB P10828 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA2 P00918 7/20 0.50
CA1 P00915 5/20 0.50
CA9 Q16790 4/20 0.50
CA7 P43166 1/20 0.50
S100B P04271 2/20 0.46
GLA P06280 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
SCHEMBL1101313 1.00 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11911281 0.91 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL18537896 0.91 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL18272407 0.89 CA2 (0.57) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11686507 0.89 CA2 (0.47) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL8405291 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL8405288 0.89 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL19399493 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL13533873 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL11008627 0.84 S100B (0.70) ALDH1A1MEN1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2470894-B1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH INC (US) 2021-12-29 EP disclosed
US-10472484-B2 Aflatoxin templates, molecularly imprinted polymers, and methods of making and using the same ALLTECH, INC. (US) 2019-11-12 US disclosed
US-20180163011-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2018-06-14 US disclosed
US-9902830-B2 Aflatoxin templates, molecularly imprinted polymers, and methods of making and using the same ALLTECH, INC. (US) 2018-02-27 US disclosed
US-20160347923-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. (US) 2016-12-01 US disclosed
US-20160221983-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME ALLTECH, INC. 2016-08-04 US disclosed
US-RE45274-E1 Synthetic mycotoxin adsorbents and methods of making and utilizing the same ALLTECH, INC. (US) 2014-12-02 US disclosed
US-8426541-B2 Synthetic mycotoxin adsorbents and methods of making and utilizing the same ALLTECH, INC. (US) 2013-04-23 US disclosed
US-20120214897-A1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH, INC. (US) 2012-08-23 US disclosed
US-8153737-B2 Synthetic mycotoxin adsorbents and methods of making and utilizing the same ALLTECH, INC. (US) 2012-04-10 US disclosed
US-20110054132-A1 SYNTHETIC MYCOTOXIN ADSORBENTS AND METHODS OF MAKING AND UTILIZING THE SAME ALLTECH, INC. (US) 2011-03-03 US disclosed
US-20020001821-A1 Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof MOSBACH KLAUS (SE) 2002-01-03 US disclosed
US-6127154-A Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof KLAUS MOSBACH, CENTER FOR CHEMISTRY AND CHEMICAL ENGINEERING, PURE AND APPLIED BIOCHEMISTRY (SE) 2000-10-03 US disclosed
US-5994110-A Methods for direct synthesis of compounds having complementary structure to a desired molecular entity and use thereof KLAUS MOSBACH, CENTER FOR CHEMISTRY AND CHEMICAL ENGINEERING, PURE AND APPLIED BIOCHEMISTRY (SE) 1999-11-30 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-20180163011-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME AKR7A2, IGF2R, CD68 ALDH1A1 1736/4885MEN1 851/4885KMT2A 2679/4885
US-10472484-B2 Aflatoxin templates, molecularly imprinted polymers, and methods of making and using the same AKR7A2, IGF2R, CD68 ALDH1A1 1736/4885MEN1 851/4885KMT2A 2679/4885
US-20160221983-A1 AFLATOXIN TEMPLATES, MOLECULARLY IMPRINTED POLYMERS, AND METHODS OF MAKING AND USING THE SAME AKR7A2, IGF2R, CD68 ALDH1A1 1736/4885MEN1 851/4885KMT2A 2679/4885

“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.