SCHEMBL925304

SCHEMBL925304

CC(=N)Nc1ccc2oc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(O)c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
TP53 P04637 7/20 0.55
RXFP1 Q9HBX9 4/20 0.55
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 5/20 0.48
CYP3A4 P08684 5/20 0.48
KMT2A Q03164 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
ABCG2 Q9UNQ0 3/20 0.44
ABCB1 P08183 2/20 0.42
DHFR P00374 1/20 0.42
CYP1A2 P05177 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2C9 P11712 2/20 0.42
C5AR1 P21730 1/20 0.41

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
SCHEMBL5126203 0.92 MAPT (0.56) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL7637761 0.89 MAPT (0.52) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL2397393 0.82 MAPT (0.75) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL925779 0.82 MAPT (0.59) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL1082928 0.80 MAPT (0.53) MAPTTP53RXFP1KDM4EMEN1
Hydrochloric Acid SCHEMBL928010 0.79 PPARG (0.40) MAPTKDM4ECYP3A4HSD17B10ALDH1A1
SCHEMBL1421812 0.79 MAPT (0.61) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL1421811 0.79 MAPT (0.61) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL17085399 0.78 TP53 (0.69) MAPTTP53RXFP1KDM4EMEN1
SCHEMBL928086 0.78 KDM4E (0.54) MAPTKDM4ECYP3A4HSD17B10ALDH1A1

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 MAPT 4791/4885TP53 1809/4885RXFP1 1484/4885

“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.