SCHEMBL7675741

SCHEMBL7675741

O=C(Oc1cc([N+](=O)[O-])ccc1[N+](=O)[O-])c1cc2cc(CCl)ccc2oc1=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.60
F12 P00748 3/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
POLB P06746 2/20 0.52
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL18752252 0.91 CA12 (0.57) F2F12MAOAMAOBPOLB
SCHEMBL18752250 0.91 CA12 (0.56) F2F12MAOAMAOBPOLB
SCHEMBL7675773 0.89 F2 (0.59) F2F12POLBCA12CA9
SCHEMBL7679254 0.88 F2 (0.68) F2F12POLBCA12CA9
SCHEMBL7681261 0.87 POLB (0.55) F2MAOAMAOBPOLBCA12
SCHEMBL7682335 0.86 MAPT (0.58) F12MAOAMAOBPOLBCA12
SCHEMBL7682500 0.84 POLB (0.60) F12MAOAMAOBPOLBCA12
SCHEMBL7681058 0.78 F2 (0.66) F2F12CA12CA9MAPT
SCHEMBL7679435 0.78 F2 (0.60) F2F12POLBCA12CA9
SCHEMBL18752273 0.78 MEN1 (0.56) F2F12MAOBPOLBCA12

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 15 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
EP-2731604-B1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIV PIERRE ET MARIE CURIE PARIS 6 (FR) 2017-04-19 EP 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
WO-2013010963-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES UNIVERSITE PIERRE ET MARIE CURIE (PARIS 6) (FR) 2013-01-24 WO disclosed
EP-2545916-A1 Use of coumarin derivatives for the preparation of drugs for treating skin diseases Universite Pierre Et Marie Curie - Paris 6 (FR) 2013-01-16 EP 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 77/4885F12 15/4885MAOA 479/4885
US-20150182499-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES BDKRB1, SERPINC1, KLK1 F2 76/4885F12 14/4885MAOA 457/4885
US-20170065555-A1 USE OF COUMARIN DERIVATIVES FOR THE PREPARATION OF DRUGS FOR TREATING SKIN DISEASES BDKRB1, SERPINC1, KLK1 F2 76/4885F12 14/4885MAOA 457/4885

“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.