SCHEMBL12549588

SCHEMBL12549588

CC(C)(C)Cn1c(=O)c2ccccc2n(Cc2cc(=O)n3ccccc3n2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ HPGD P15428 8/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ POLB P06746 3/20 0.61
▸ HSD17B10 Q99714 4/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PKM P14618 2/20 0.49
▸ MAPK1 P28482 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL14960024 0.88 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL12571746 0.86 ALDH1A1 (0.62) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL26853240 0.73 PKM (0.52) KDM4EHSD17B10PKMGRIN1GRIN2A
SCHEMBL16010683 0.73 KDM4E (0.52) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL15462269 0.73 TNKS (0.61) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL12549643 0.73 TP53 (0.59) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL13574150 0.72 KDM4E (0.49) ALDH1A1HPGDKDM4EPOLBHSD17B10
SCHEMBL12933335 0.71 PGR (0.57) ALDH1A1KDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL13151057 0.69 PKM (0.56) KDM4EPOLBHSD17B10PKMGRIN1
SCHEMBL12933342 0.68 P2RX4 (0.62) POLBSMN1; SMN2MAPK1TSHRMAPT

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-20150374696-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-12-31 — — US disclosed
US-9045416-B2 WNT protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-06-02 — — US disclosed
US-20140038922-A1 WNT PROTEIN SIGNALLING INHIBITORS UNIV TEXAS (US) 2014-02-06 — — US disclosed
US-8445491-B2 Wnt protein signalling inhibitors THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-21 — — US disclosed
US-20110136813-A1 WNT PROTEIN SIGNALLING INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2011-06-09 — — 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-20140038922-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 ALDH1A1 4690/4885HPGD 2617/4885KDM4E 4000/4885
US-20110136813-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 ALDH1A1 4690/4885HPGD 2617/4885KDM4E 4000/4885
US-20150374696-A1 WNT PROTEIN SIGNALLING INHIBITORS WNT1, WNT3A, DKK1 ALDH1A1 4690/4885HPGD 2617/4885KDM4E 4000/4885

“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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