SCHEMBL25981004

SCHEMBL25981004

COC(=O)c1ccc2c(OC)cc(-c3ccccc3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HPGD P15428 5/20 0.63
LMNA P02545 2/20 0.63
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 1/20 0.54
PLA2G2A P14555 1/20 0.54
DHODH Q02127 1/20 0.52
ADORA1 P30542 2/20 0.50
ALOX5 P09917 1/20 0.49
ALOX12 P18054 1/20 0.49
TACR3 P29371 2/20 0.49
HSD17B10 Q99714 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TDO2 P48775 1/20 0.48
ESR1 P03372 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
SCHEMBL25981084 0.90 SMN1; SMN2 (0.67) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25982124 0.88 NAMPT (0.60) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25981085 0.87 SMN1; SMN2 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25983451 0.87 SMN1; SMN2 (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL31212371 0.83 NPC1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25983146 0.83 NPC1 (0.47) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL29892708 0.82 SMN1; SMN2 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25981087 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL8261896 0.80 SMN1; SMN2 (0.72) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL25977894 0.80 GABRG2 (0.51) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A

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 ALDH1A1 826/4885KDM4E 3842/4885SMN1; SMN2 1317/4885

“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.