SCHEMBL928086

SCHEMBL928086

COc1ccc(-c2oc3ccc(NC(C)=N)cc3c(=O)c2OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
CYP3A4 P08684 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PPARG P37231 1/20 0.52
NPC1 O15118 2/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ABCG2 Q9UNQ0 6/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 1/20 0.48
ANO1 Q5XXA6 5/20 0.48
CNR2 P34972 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
SCHEMBL926613 0.92 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDCYP3A4
Hydrochloric Acid SCHEMBL936732 0.90 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL926805 0.89 KMT2A (0.45) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL925769 0.88 PPARG (0.42) KDM4EALDH1A1MAPTHPGDCYP3A4
Hydrochloric Acid SCHEMBL928010 0.86 PPARG (0.40) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL7637761 0.85 MAPT (0.52) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL1030897 0.85 KDM4E (0.51) KDM4EALDH1A1MAPTHPGDCYP3A4
SCHEMBL7640696 0.83 CYP19A1 (0.43) CYP3A4CYP2D6PPARGABCG2ABCB1
SCHEMBL925271 0.83 KDM4E (0.47) KDM4EALDH1A1HSD17B10PPARGABCG2
SCHEMBL29167451 0.82 KDM4E (0.76) KDM4EALDH1A1MAPTHPGDCYP3A4

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 KDM4E 3085/4885ALDH1A1 401/4885MAPT 4791/4885

“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.