SCHEMBL23529950

SCHEMBL23529950

N#CCc1ccc(C(=O)O)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
MGAM O43451 1/20 0.37
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
FFAR1 O14842 4/20 0.33
FFAR4 Q5NUL3 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSPO P30536 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL28575400 0.85 KDM4E (0.41) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL19857481 0.78 KDM4E (0.45) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL29110058 0.77 KDM4E (0.43) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL23554560 0.74 NPSR1 (0.40) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL29550450 0.74 NPSR1 (0.40) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL5134009 0.72 KDM4E (0.39) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL9329423 0.72 HCAR2 (0.45) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL9206623 0.72 KDM4E (0.62) KDM4ETDP1ALOX15TSHRKMT2A
SCHEMBL2638120 0.70 KDM4E (0.55) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL30521020 0.67 KDM4E (0.50) KDM4ETDP1ALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 KDM4E 4228/4885TDP1 402/4885ALOX15 212/4885

“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.