SCHEMBL926583

SCHEMBL926583

COc1ccc(-c2oc3ccc(NC(=O)OC(C)(C)C)cc3c(=O)c2OCc2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
PABPC1 P11940 1/20 0.43
PPARG P37231 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
RCE1 Q9Y256 1/20 0.40
PKM P14618 1/20 0.40
ABCG2 Q9UNQ0 3/20 0.39
ABCB1 P08183 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL926805 0.87 KMT2A (0.45) KMT2AMEN1LMNAMAPTPABPC1
SCHEMBL928112 0.85 RCE1 (0.45) KMT2AMEN1LMNAMAPTKDM4E
SCHEMBL1034145 0.81 PPARG (0.42) KMT2AMEN1LMNAMAPTPABPC1
SCHEMBL927299 0.80 PPARG (0.48) KMT2AMEN1LMNAMAPTPPARG
SCHEMBL926584 0.79 PPARG (0.41) KMT2AMEN1LMNAMAPTPPARG
SCHEMBL926613 0.78 KDM4E (0.57) KMT2AMEN1MAPTPPARGNPC1
SCHEMBL925271 0.77 KDM4E (0.47) KMT2APPARGKDM4EALDH1A1ABCG2
Hydrochloric Acid SCHEMBL928010 0.76 PPARG (0.40) MAPTPPARGKDM4EALDH1A1ABCG2
SCHEMBL928086 0.75 KDM4E (0.54) MAPTPPARGNPC1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL936732 0.73 ALDH1A1 (0.52) MAPTPPARGNPC1KDM4EALDH1A1

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 3 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

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 KMT2A 1600/4885MEN1 3571/4885LMNA 4430/4885

“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.