SCHEMBL25982123

SCHEMBL25982123

CCOc1cc(Br)nc2cc(C(=O)OC)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CSNK2A1 P68400 1/20 0.46
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
NAMPT P43490 13/20 0.42
CREBBP Q92793 2/20 0.42

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
SCHEMBL25981002 0.87 MAPT (0.47) KDM4EALDH1A1TSHRHSD17B10CSNK2A1
SCHEMBL17941944 0.85 CSNK2A1 (0.51) KDM4EALDH1A1TSHRHSD17B10CSNK2A1
SCHEMBL25982124 0.81 NAMPT (0.60) KDM4EALDH1A1NAMPT
SCHEMBL17941862 0.80 MET (0.50) KDM4EALDH1A1TSHRHSD17B10CSNK2A1
SCHEMBL17941962 0.79 NAMPT (0.53) NAMPT
SCHEMBL6601501 0.75 MAPT (0.59) KDM4EALDH1A1TSHRHSD17B10ALOX15
SCHEMBL733132 0.75 TSHR (0.50) ALDH1A1TSHRHSD17B10CREBBP
SCHEMBL17942033 0.75 NAMPT (0.64) ALDH1A1NAMPT
SCHEMBL28175260 0.73 ADORA1 (0.54) KDM4EALDH1A1
SCHEMBL25977852 0.73 HTT (0.49) KDM4EALDH1A1HSD17B10CSNK2A1ALOX15

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 KDM4E 3842/4885ALDH1A1 826/4885TSHR 145/4885

“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.