SCHEMBL20867656

SCHEMBL20867656

COc1cc(OC)c2nc(C)cc(C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
NQO2 P16083 2/20 0.46
CYP19A1 P11511 1/20 0.46
KMT2A Q03164 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
RAD52 P43351 1/20 0.43
CYP1A2 P05177 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
JAK2 O60674 1/20 0.42
CRHR1 P34998 2/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFTR P13569 1/20 0.38
BLM P54132 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
SCHEMBL22750299 0.83 CRHR1 (0.47) MAPTNQO2CYP19A1KMT2ASMN1; SMN2
SCHEMBL20521814 0.83 CYP3A4 (0.44) MAPTNQO2CYP19A1KMT2ASMN1; SMN2
SCHEMBL29923906 0.83 CRHR1 (0.47) MAPTNQO2CYP19A1KMT2ASMN1; SMN2
SCHEMBL22196185 0.83 KMT2A (0.44) NQO2CYP19A1KMT2ASMN1; SMN2LMNA
SCHEMBL20521940 0.83 KMT2A (0.44) MAPTNQO2CYP19A1KMT2ASMN1; SMN2
SCHEMBL24915777 0.82 MAPT (0.42) MAPTNQO2CYP19A1KMT2ALMNA
SCHEMBL11544523 0.81 KDM4E (0.53) MAPTNQO2CYP19A1KMT2ALMNA
SCHEMBL20867655 0.80 NQO2 (0.45) NQO2CYP19A1KMT2ASMN1; SMN2LMNA
SCHEMBL24915974 0.80 KMT2A (0.40) MAPTNQO2CYP19A1KMT2ASMN1; SMN2
SCHEMBL20855332 0.80 NQO2 (0.42) NQO2CYP19A1KMT2ASMN1; SMN2LMNA

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
WO-2020247679-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY (US) 2020-12-10 WO 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

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 MAPT 3803/4885NQO2 357/4885CYP19A1 1085/4885

“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.