SCHEMBL25753535

SCHEMBL25753535

O=C(OCc1ccccc1)c1nn(C(=O)OCc2ccccc2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 3/20 0.49
MAOB P27338 2/20 0.49
ADORA2A P29274 2/20 0.49
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.43
PTGER1 P34995 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPY1R P25929 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL23596228 0.74 MAPT (0.47) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL27812967 0.73 KMT2A (0.50) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL20675615 0.73 ALDH1A1 (0.47) MAPTTDP1KMT2ASLC6A2SLC6A3
SCHEMBL22819131 0.72 ALDH1A1 (0.60) TDP1KMT2ASLC6A2SLC6A3TSHR
SCHEMBL20154228 0.72 MAPT (0.57) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL3957466 0.72 MAPT (0.51) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL20471120 0.71 ALDH1A1 (0.45) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL20154214 0.71 MAPT (0.50) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL25753513 0.70 TSHR (0.52) MAPTKDM4EMAOBADORA2ATDP1
SCHEMBL25753517 0.70 TDP1 (0.50) MAPTKDM4EMAOBADORA2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691957-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-04 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-11691957-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNT1, CCNA1 MAPT 1322/4885KDM4E 4156/4885MAOB 2940/4885

“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.