SCHEMBL25529029

SCHEMBL25529029

Cc1nc(C)c(C(=O)O)c(O)c1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
PRNP P04156 1/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
P2RX3 P56373 7/20 0.36
PDE10A Q9Y233 1/20 0.34
DHODH Q02127 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32

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
SCHEMBL30174318 1.00 ALDH1A1 (0.39) ALDH1A1HTTPRNPPPARGRXFP1
SCHEMBL26967850 0.84 P2RX3 (0.41) ALDH1A1HTTP2RX3PDE10AMEN1
SCHEMBL26967897 0.79 KDM4E (0.44) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL30843854 0.79 KDM4E (0.44) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL15316166 0.78 PDE10A (0.44) ALDH1A1HTTP2RX3PDE10AMEN1
SCHEMBL9580270 0.77 ALDH1A1 (0.44) ALDH1A1HTTPRNPMAPK1RAB9A
SCHEMBL30843852 0.76 HTT (0.55) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL26967885 0.76 HTT (0.55) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL30174197 0.76 P2RX3 (0.40) ALDH1A1P2RX3MEN1KMT2AMAPK1
SCHEMBL25529033 0.76 P2RX3 (0.40) ALDH1A1P2RX3MEN1KMT2AMAPK1

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
CN-117440951-A Pyridone compounds and methods of use 埃克塞里艾克西斯公司 2024-01-23 CN disclosed
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 ALDH1A1 3998/4885HTT 1724/4885PRNP 1180/4885

“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.