SCHEMBL20855328

SCHEMBL20855328

FC(F)c1nc2ccccc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 3/20 0.48
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 7/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAOA P21397 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ ADRA1A P35348 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
SCHEMBL31313485 1.00 GPR3 (0.48) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL16111018 0.79 GPR3 (0.41) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL20855331 0.78 GPR3 (0.54) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL30277502 0.78 GPR3 (0.54) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL16414501 0.75 GPR3 (0.50) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL20594119 0.75 HSD17B10 (0.48) KMT2AKDM4EALDH1A1MAOAGLA
SCHEMBL3900313 0.74 KMT2A (0.44) GPR3KMT2AKDM4EALDH1A1MAOA
SCHEMBL12533983 0.72 GPR3 (0.47) GPR3KMT2AKDM4EALDH1A1HPGD
SCHEMBL20594339 0.71 PDE10A (0.45) KMT2AKDM4EALDH1A1GLAHPGD
SCHEMBL20594526 0.71 KDM4E (0.53) KMT2AKDM4EALDH1A1MAOAGLA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 — — US disclosed
US-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2020-07-09 — — US disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 — — WO disclosed
WO-2019060998-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2019-04-04 — — 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-20200216430-A1 CATALYST-FREE AND REDOX-NEUTRAL INNATE TRIFLUOROMETHYLATION AND ALKYLATION OF (HETERO)AROMATICS ENABLED BY LIGHT CYBB, NOX4, NOX3 GPR3 3068/4885KMT2A 1763/4885KDM4E 2810/4885

“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.

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