Sugi Predict

Sugi Predict / Compounds / SCHEMBL500223

SCHEMBL500223

SCHEMBL500223

O=c1ccc2ccccc2n1-c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ BRPF1 P55201 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KAT2B Q92831 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ HPGD P15428 5/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP3A4 P08684 2/20 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
SCHEMBL9920730 0.80 CYP1A2 (0.48) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL9920747 0.74 CYP1A2 (0.43) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL2627584 0.74 CYP1A2 (0.47) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL7061200 0.74 HTR5A (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL15945790 0.73 KDM4E (0.45) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL21388878 0.72 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4ETDP1CYP1A2
SCHEMBL17505155 0.71 CA12 (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9270290 0.71 POLB (0.50) CA12BRD4BRPF1CA9KAT2B
SCHEMBL29009659 0.71 CA12 (0.47) CA12BRD4BRPF1CA9KAT2B
SCHEMBL9920963 0.71 CYP1A2 (0.43) ALDH1A1KMT2AKDM4ETDP1CYP1A2

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-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-10-30 — — US claimed
US-8106199-B2 Infrared phosphorescent organic light emitting device; Platinum, Paladium, Iridium, Rhodium complex; cyclometalating ligands pyrenyl-pyridine, 1-pyrenyl-quinolone, pyrenyl-benziso-quinolone, 1-pyrenyl-iso-quinolone; acetylacetonate ancillary ligand; tunable emission intensity; undetectable to unaided eye ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-01-31 — — US disclosed
US-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2008-10-30 — — 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-20080269491-A1 Organometallic Materials for Optical Emission, Optical Absorption, and Devices Including Organometallic Materials TPR, PICALM, AP3M1 CA12 2286/4885BRD4 2712/4885BRPF1 717/4885

“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.