SCHEMBL12427429

SCHEMBL12427429

O=C(c1cc2ccc3ccccc3c2[nH]1)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MEN1 O00255 1/20 0.57
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 6/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 2/20 0.42
TBXAS1 P24557 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HRH4 Q9H3N8 6/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL12428148 0.83 ALDH1A1 (0.58) ALDH1A1HSD17B10MEN1USP2HPGD
SCHEMBL6396188 0.81 FLT3 (0.54) ALDH1A1HSD17B10HPGDMAPTKDM4E
SCHEMBL9288910 0.75 CYP17A1 (0.44) ALDH1A1HSD17B10KMT2ALMNATBXAS1
SCHEMBL10118094 0.75 ALDH1A1 (0.54) ALDH1A1KMT2ALMNATBXAS1KDM4E
SCHEMBL29513389 0.74 HSD17B10 (1.00) ALDH1A1HSD17B10MEN1USP2HPGD
SCHEMBL8985864 0.74 HSD17B10 (1.00) ALDH1A1HSD17B10MEN1USP2HPGD
SCHEMBL1186098 0.72 CES2 (0.49) MEN1HPGDKMT2ALMNATBXAS1
SCHEMBL12427432 0.70 MEN1 (0.73) ALDH1A1HSD17B10MEN1USP2HPGD
SCHEMBL3536795 0.69 DHODH (0.42) ALDH1A1TP53LMNATBXAS1
SCHEMBL8985899 0.69 ALDH1A1 (0.67) ALDH1A1HSD17B10MEN1USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-9403769-B2 Small molecule inhibitors of PFKFB3 and glycolytic flux and their methods of use as anti-cancer therapeutics ADVANCED CANCER THERAPEUTICS, LLC (US) 2016-08-02 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
WO-2011103557-A1 SMALL MOLECULE INHIBITORS OF PFKFB3 AND GLYCOLYTIC FLUX AND THEIR METHODS OF USE AS ANTI-CANCER THERAPEUTICS ADVANCED CANCER THERAPEUTICS, LLC (US) 2011-08-25 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 (1 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-20130059879-A1 Small Molecule Inhibitors of PFKFB3 and Glycolytic Flux and Their Methods of Use as Anti-Cancer Therapeutics PFKFB3, PFKFB1, PFKFB2 ALDH1A1 1970/4885HSD17B10 1711/4885MEN1 2284/4885

“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.