SCHEMBL7679808

SCHEMBL7679808

O=C(Oc1cccnc1)c1cc2cc(CCl)ccc2oc1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.76
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 2/20 0.71
HPGD P15428 2/20 0.71
POLB P06746 1/20 0.71
MAPT P10636 1/20 0.71
HSD17B10 Q99714 1/20 0.71
F12 P00748 4/20 0.61
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL14642286 0.87 F2 (1.00) F2ALDH1A1KDM4EPOLBF12
SCHEMBL7679148 0.85 F2 (0.69) F2ALDH1A1KDM4EHPGDPOLB
SCHEMBL7681997 0.84 F2 (0.68) F2ALDH1A1KDM4EHPGDPOLB
SCHEMBL7679485 0.84 F2 (0.69) F2ALDH1A1KDM4EHPGDPOLB
SCHEMBL14642315 0.83 F2 (0.79) F2ALDH1A1KDM4EMAPTF12
SCHEMBL14642318 0.82 F2 (0.78) F2ALDH1A1KDM4EMAPTF12
SCHEMBL18589315 0.82 F2 (1.00) F2ALDH1A1KDM4EMAPTF12
SCHEMBL18607529 0.82 F2 (0.78) F2ALDH1A1KDM4EMAPTF12
SCHEMBL14642282 0.82 F2 (0.78) F2ALDH1A1KDM4EMAPTF12
SCHEMBL14642292 0.82 F2 (0.78) F2ALDH1A1KDM4EMAPTF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814696-B2 Use of coumarin derivatives for the preparation of drugs for treating skin diseases UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2017-11-14 US disclosed
US-9814696-B2 Use of coumarin derivatives for the preparation of drugs for treating skin diseases UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2017-11-14 US disclosed
US-20170065555-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE DE LIEGE (BE) 2017-03-09 US disclosed
US-20170065555-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE DE LIEGE (BE) 2017-03-09 US disclosed
US-9532973-B2 Use of coumarin derivatives for the preparation of drugs for treating skin diseases UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2017-01-03 US disclosed
US-20150182499-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE DE LIEGE (BE) 2015-07-02 US disclosed
US-20150182499-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE DE LIEGE (BE) 2015-07-02 US disclosed
US-9006466-B2 Use of coumarin derivatives for the preparation of drugs for treating skin diseases UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-04-14 US disclosed
US-9006466-B2 Use of coumarin derivatives for the preparation of drugs for treating skin diseases UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2015-04-14 US disclosed
US-20140148480-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-05-29 US disclosed
US-20140148480-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2014-05-29 US disclosed
US-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 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-20140148480-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES BDKRB1, KLK1, SERPINC1 F2 77/4885ALDH1A1 573/4885KDM4E 2682/4885
US-20150182499-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES BDKRB1, SERPINC1, KLK1 F2 76/4885ALDH1A1 581/4885KDM4E 2644/4885
US-20170065555-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES BDKRB1, SERPINC1, KLK1 F2 76/4885ALDH1A1 581/4885KDM4E 2644/4885

“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.