SCHEMBL25529049

SCHEMBL25529049

CCOC(=O)c1c(C)n(C)cc(Br)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.44
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
USP2 O75604 1/20 0.42
APAF1 O14727 1/20 0.41
SMAD3 P84022 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 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
SCHEMBL10463165 0.79 HTT (0.50) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL11212558 0.78 KMT2A (0.50) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL23499036 0.77 KMT2A (0.49) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL10463835 0.76 ALDH1A1 (0.54) MAPTGAAALDH1A1KMT2AKDM4E
SCHEMBL21428171 0.76 KMT2A (0.47) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL4544319 0.76 MAPT (0.49) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL11788500 0.74 KMT2A (0.62) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL26967883 0.74 KMT2A (0.54) MAPTGAAPKMALDH1A1KMT2A
SCHEMBL10463560 0.74 ALDH1A1 (0.54) MAPTALDH1A1KMT2ABAZ2BBAZ2A
SCHEMBL23498810 0.73 KMT2A (0.45) MAPTGAAPKMALDH1A1KMT2A

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-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX MAPT 1805/4885GAA 785/4885PKM 345/4885

“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.