SCHEMBL925271

SCHEMBL925271

CC(=O)Nc1ccc2oc(-c3ccc(O)cc3)c(OCc3ccccc3)c(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
ABCG2 Q9UNQ0 4/20 0.46
GAA P10253 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PPARG P37231 1/20 0.46
ABCB1 P08183 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL926613 0.92 KDM4E (0.57) KDM4EALDH1A1ABCG2GAAPPARG
SCHEMBL926258 0.90 CYP19A1 (0.47) KDM4EALDH1A1ABCG2GAACYP11B1
SCHEMBL925244 0.86 NPC1 (0.48) KDM4EALDH1A1ABCG2GAAKMT2A
SCHEMBL1082928 0.85 MAPT (0.53) KDM4EALDH1A1KMT2AHSD17B10
SCHEMBL3703832 0.85 CYP11B1 (0.47) KDM4EALDH1A1ABCG2CYP11B1CYP11B2
SCHEMBL928086 0.83 KDM4E (0.54) KDM4EALDH1A1ABCG2GAAPPARG
SCHEMBL5126203 0.82 MAPT (0.56) KDM4EALDH1A1ABCG2CYP11B1CYP11B2
SCHEMBL29167450 0.82 KDM4E (0.56) KDM4EALDH1A1ABCG2GAAPPARG
SCHEMBL15231797 0.82 KDM4E (0.62) KDM4EALDH1A1ABCG2GAAPPARG
Hydrochloric Acid SCHEMBL928010 0.82 PPARG (0.40) KDM4EALDH1A1ABCG2GAAPPARG

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-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 US disclosed
EP-2268628-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN Rottapharm S.p.A. (IT) 2011-01-05 EP disclosed
WO-2009109230-A1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2009-09-11 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 (1 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 KDM4E 3085/4885ALDH1A1 401/4885ABCG2 821/4885

“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.