SCHEMBL12913015

SCHEMBL12913015

C=CCn1nc2ccccc2c1OC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ATM Q13315 1/20 0.36
▸ PTGER4 P35408 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ MPO P05164 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL697595 0.67 KMT2A (0.60) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL6885150 0.66 KMT2A (0.50) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL166548 0.66 CYP3A4 (0.53) KMT2AHSD17B10ALDH1A1HCAR2MAPK1
SCHEMBL14348812 0.65 KMT2A (0.46) KMT2AMEN1HTTGFERHSD17B10
Formaldehyde SCHEMBL28517301 0.65 CYP3A4 (0.51) KMT2AHSD17B10ALDH1A1HCAR2MAPK1
SCHEMBL3635540 0.65 MAPT (0.39) KMT2AMEN1HSD17B10ATMALDH1A1
SCHEMBL37382 0.65 ALDH1A1 (0.68) KMT2AALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL9654656 0.65 ALDH1A1 (0.50) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL5793033 0.65 ALDH1A1 (0.53) KMT2AALDH1A1HCAR2MAPK1L3MBTL1
SCHEMBL22162939 0.65 KMT2A (0.54) KMT2AMEN1HTTGFERHSD17B10

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
EP-1776345-B1 Method of preparing N2-functionalised indazolinone derivatives UNIV ST ANDREWS (GB) 2013-02-13 — — EP disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — 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 (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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 KMT2A 1621/4885MEN1 145/4885HTT 2714/4885

“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.

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