SCHEMBL8516062

SCHEMBL8516062

NC(=O)c1cccc2c3ccccc3n(C(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 7/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
PABPC1 P11940 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCAT2 O15382 1/20 0.40
P2RX4 Q99571 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FABP3 P05413 1/20 0.39

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
SCHEMBL7838579 0.78 KDM4E (0.51) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1180653 0.76 POLB (0.64) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL30344008 0.76 POLB (0.64) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL1696713 0.74 POLB (0.45) ALDH1A1POLBMAPTHPGDLMNA
SCHEMBL28504873 0.73 ALDH1A1 (0.71) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL10879830 0.70 POLB (0.61) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL31210085 0.70 POLB (0.61) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL27672211 0.70 EGFR (0.47) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL3702930 0.69 JAK2 (0.37) ALDH1A1POLBSMN1; SMN2KDM4EGAA
SCHEMBL27387445 0.68 KMT2A (0.48) ALDH1A1POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456757-B1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV ILLINOIS (US) 2019-05-01 EP disclosed
US-8748451-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-06-10 US disclosed
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same UNIV ILLINOIS (US) 2013-10-24 US disclosed
US-8431538-B2 HDAC inhibitors and therapeutic methods of using same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-04-30 US disclosed
US-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME KOZIKOWSKI ALAN (US) 2012-10-04 US disclosed
EP-2456757-A2 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Board of Trustees of the University of Illinois (US) 2012-05-30 EP 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 (2 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-20120252740-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS OF USING SAME HDAC1, HDAC9, HDAC5 ALDH1A1 1183/4885POLB 2446/4885MAPT 241/4885
US-20130281484-A1 HDAC Inhibitors and Therapeutic Methods of Using Same HDAC1, HDAC9, HDAC5 ALDH1A1 1183/4885POLB 2446/4885MAPT 241/4885

“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.