SCHEMBL25981084

SCHEMBL25981084

COc1cc(-c2ccccc2)nc2cc(C(=O)O)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
KDM4E B2RXH2 5/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 3/20 0.67
HPGD P15428 3/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57
ALOX15 P16050 1/20 0.52
ADORA1 P30542 2/20 0.52
PDE10A Q9Y233 2/20 0.51
DHODH Q02127 1/20 0.51
TDO2 P48775 1/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
CSNK2A1 P68400 1/20 0.48
TACR3 P29371 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL25981085 0.90 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL25981004 0.90 ALDH1A1 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL25983552 0.88 CSNK2A2 (0.53) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL25982178 0.86 NAMPT (0.61) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL29892985 0.85 KDM4E (0.49) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL25983147 0.84 CSNK2A2 (0.52) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL31212293 0.84 CSNK2A2 (0.52) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL25981087 0.83 ALDH1A1 (0.56) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL8261896 0.82 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL29893923 0.81 KDM4E (0.46) SMN1; SMN2KDM4EALDH1A1LMNAHPGD

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-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MRJA THERAPEUTICS, INC. 2025-05-08 US disclosed
CN-118974019-A Certain chemical entities, compositions and methods 瑞图恩制药公司 2024-11-15 CN disclosed
WO-2023150663-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS RETUNE PHARMA INC. (US) 2023-08-10 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-20250145599-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS IGF1R, IGFBP1, IGFBP2 SMN1; SMN2 1317/4885KDM4E 3842/4885ALDH1A1 826/4885

“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.