SCHEMBL1658503

SCHEMBL1658503

O=c1[nH][nH]c(=O)c2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ ALOX5 P09917 1/20 0.48
▸ HPRT1 P00492 1/20 0.46
▸ TYMS P04818 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL24665385 0.82 ALOX5 (0.52) ALDH1A1ALOX5HPRT1TYMSTDP1
SCHEMBL31454054 0.79 DAO (0.52) ALDH1A1ALOX5HPRT1TYMSTDP1
SCHEMBL2325768 0.75 PARP1 (0.47) ALDH1A1HPRT1TYMSTDP1L3MBTL1
SCHEMBL1236330 0.75 TYMS (0.50) ALDH1A1TYMSPARP1LMNACDK4
SCHEMBL460847 0.75 KDM4E (0.57) ALDH1A1TYMSTDP1L3MBTL1PARP1
SCHEMBL1659377 0.75 TYMS (0.53) ALDH1A1TYMSPARP1RAB9ACDK4
SCHEMBL29766 0.74 ALOX5 (0.70) ALDH1A1ALOX5PARP1TSHRHSD17B10
SCHEMBL29349675 0.74 ALOX5 (0.70) ALDH1A1ALOX5PARP1TSHRHSD17B10
SCHEMBL7755100 0.73 HPRT1 (0.55) ALDH1A1HPRT1TYMSTDP1L3MBTL1
Charcoal, Activated SCHEMBL31491466 0.71 ALOX5 (0.67) ALDH1A1ALOX5PARP1TSHRHSD17B10

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-20160216272-A1 KIT AND METHOD FOR THE LABELLING OF BIOMOLECULES CYANAGEN S R L (IT) 2016-07-28 — — US claimed
EP-2314597-B1 Kit and method for the labelling of biomolecules CYANAGEN SRL (IT) 2012-11-28 — — EP claimed
EP-2314597-A1 Kit and method for the labelling of biomolecules Cyanagen Srl (IT) 2011-04-27 — — EP claimed
US-20110092676-A1 KIT AND METHOD FOR THE LABELLING OF BIOMOLECULES CYANAGEN S.R.L. (IT) 2011-04-21 — — US claimed
US-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYDOCKPHARMA S.R.L. (IT) 2010-02-25 — — 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-20110092676-A1 KIT AND METHOD FOR THE LABELLING OF BIOMOLECULES KIT, UNG, ALKBH1 ALDH1A1 385/4885ALOX5 4135/4885HPRT1 281/4885
US-20100048692-A1 Naphthofuranone Derivatives as Specific Inhibitors of Thymidylate Synthases TYMS, TYMP, DNTT ALDH1A1 1436/4885ALOX5 1356/4885HPRT1 290/4885
US-20160216272-A1 KIT AND METHOD FOR THE LABELLING OF BIOMOLECULES KIT, UNG, ALKBH1 ALDH1A1 385/4885ALOX5 4135/4885HPRT1 281/4885

“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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