SCHEMBL3607241

SCHEMBL3607241

Nc1cc(=O)c2ccc3ccccc3c2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.64
CYP1B1 Q16678 8/20 0.62
CYP1A1 P04798 7/20 0.62
CYP1A2 P05177 6/20 0.62
KDM4E B2RXH2 5/20 0.62
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
MAPT P10636 4/20 0.62
HTT P42858 4/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP3A4 P08684 2/20 0.62
TSHR P16473 2/20 0.62
CYP2C19 P33261 2/20 0.62
ALOX15 P16050 1/20 0.62
PDE5A O76074 1/20 0.62
TP53 P04637 1/20 0.62
ABCB1 P08183 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP19A1 P11511 1/20 0.62
CYP2C9 P11712 1/20 0.62

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
SCHEMBL13435569 0.79 CYP1A1 (0.62) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL31061133 0.79 PRKDC (1.00) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL30987790 0.78 KDM4E (0.60) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL2726345 0.77 KMT2A (0.68) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL12325500 0.77 KDM4E (0.63) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
Alpha-Naphthoflavone SCHEMBL121594 0.77 CYP1A1 (1.00) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
Alpha-Naphthoflavone SCHEMBL29351090 0.77 CYP1A1 (1.00) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL29689973 0.76 KDM4E (1.00) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL8054422 0.76 KDM4E (0.61) PRKDCCYP1B1CYP1A1CYP1A2KDM4E
SCHEMBL16736777 0.76 PRKDC (0.73) PRKDCCYP1B1CYP1A1CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10006904-B2 Rapid quantitative assay to measure CFTR function in a primary intestinal culture model UMC UTRECHT HOLDING B.V. (NL) 2018-06-26 US disclosed
US-10006904-B2 Rapid quantitative assay to measure CFTR function in a primary intestinal culture model UMC UTRECHT HOLDING B.V. (NL) 2018-06-26 US disclosed
US-20150011420-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-01-08 US disclosed
US-20150011420-A1 RAPID QUANTITATIVE ASSAY TO MEASURE CFTR FUNCTION IN A PRIMARY INTESTINAL CULTURE MODEL UMC UTRECHT HOLDING B.V. (NL) 2015-01-08 US disclosed
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 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 (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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 PRKDC 92/4885CYP1B1 1026/4885CYP1A1 1053/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 PRKDC 212/4885CYP1B1 1027/4885CYP1A1 1196/4885

“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.