SCHEMBL20205210

SCHEMBL20205210

CC(C)COc1ccc(-n2cccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
HPGD P15428 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 3/20 0.41
BRS3 P32247 2/20 0.40
MAPT P10636 2/20 0.40
CYP19A1 P11511 1/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL8131937 0.82 NOTUM (0.53) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL2608891 0.79 NOTUM (0.46) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL27439676 0.79 NOTUM (0.53) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL598119 0.76 NOTUM (0.58) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL14863624 0.76 NOTUM (0.50) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL4384994 0.76 NOTUM (0.50) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL8645551 0.76 CYP19A1 (0.58) NOTUMNPC1LMNATSHRCYP19A1
SCHEMBL5018752 0.76 NOTUM (0.53) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL4341894 0.75 NOTUM (0.78) NOTUMMEN1KMT2AKDM4EALDH1A1
SCHEMBL12989014 0.75 LMNA (0.50) NOTUMKDM4EALDH1A1MAPK1NPC1

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-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES UNIV NORTH CAROLINA CHAPEL HILL (US) 2023-06-01 US disclosed
US-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-02-21 US disclosed
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-09-03 US disclosed
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2018-05-31 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 (4 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-11584720-B2 Photoredox-catalyzed direct C-H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3331/4885MEN1 4101/4885KMT2A 1406/4885
US-10399947-B2 Photoredox-catalyzed direct C—H functionalization of arenes PPOX, AOC2, AOC3 NOTUM 3386/4885MEN1 4005/4885KMT2A 1386/4885
US-20180148414-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885MEN1 4101/4885KMT2A 1406/4885
US-20230167067-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES PPOX, AOC2, AOC3 NOTUM 3331/4885MEN1 4101/4885KMT2A 1406/4885

“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.