SCHEMBL928102

SCHEMBL928102

CC(=N)C(Nc1ccc2oc(C3=COC(Cc4ccccc4)O3)c(OCc3ccccc3)c(=O)c2c1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.32
PPARG P37231 1/20 0.31
ROCK1 Q13464 1/20 0.30
ABCB1 P08183 2/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL3704969 0.89 KDM4E (0.35) ABCB1
SCHEMBL925245 0.84 CYP11B1 (0.41) ABCG2CASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL925559 0.82 PPARG (0.31) ABCG2PPARGABCB1CASP3SENP8
SCHEMBL925375 0.77 NPC1 (0.37) ABCG2PPARG
Hydrochloric Acid SCHEMBL925808 0.77 NPC1 (0.36) ABCG2PPARG
Hydrochloric Acid SCHEMBL926191 0.73 KDM4E (0.39) ABCB1
SCHEMBL926119 0.71 KDM4E (0.40) ABCB1
Hydrochloric Acid SCHEMBL926419 0.70 KDM4E (0.35) ABCB1
SCHEMBL7666892 0.69 SNCA (0.45)
SCHEMBL7662615 0.68 CA12 (0.38) ABCB1

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 ABCG2 821/4885PPARG 403/4885ROCK1 3064/4885

“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.