SCHEMBL925245

SCHEMBL925245

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP19A1 P11511 1/20 0.39
SENP5 Q96HI0 2/20 0.39
SENP2 Q9HC62 2/20 0.39
SENP1 Q9P0U3 2/20 0.39
USP2 O75604 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
RAB9A P51151 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL926119 0.87 KDM4E (0.40) MEN1KMT2AKDM4ECA12CA9
SCHEMBL928102 0.84 ABCG2 (0.32) ABCG2CASP3SENP8SENP7SENP6
Hydrochloric Acid SCHEMBL925559 0.84 PPARG (0.31) ABCG2CASP3SENP8SENP7SENP6
SCHEMBL925375 0.83 NPC1 (0.37) CYP11B1CYP11B2CYP19A1MAOBKMT2A
Hydrochloric Acid SCHEMBL925808 0.82 NPC1 (0.36) CYP11B1CYP11B2CYP19A1MAOBKMT2A
SCHEMBL925271 0.80 KDM4E (0.47) CYP11B1CYP11B2CYP19A1KMT2AABCG2
Hydrochloric Acid SCHEMBL926191 0.78 KDM4E (0.39) USP2MEN1KMT2AKDM4ECA12
SCHEMBL7662615 0.78 CA12 (0.38) MAOBMEN1KMT2AKDM4ECA12
SCHEMBL926613 0.78 KDM4E (0.57) MEN1KMT2AABCG2KDM4ERAB9A
SCHEMBL7666892 0.77 SNCA (0.45) MAOBMEN1KMT2AKDM4ECA9

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 CYP11B1 1981/4885CYP11B2 1818/4885CYP19A1 1251/4885

“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.