SCHEMBL29327093

SCHEMBL29327093

CCn1c(CNC(=O)c2ccc(C)cc2Cl)nnc1SCC(=O)Nc1ccc(C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ GAA P10253 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 1/20 0.55
▸ THRB P10828 1/20 0.54
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ CTDSP1 Q9GZU7 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL29327531 0.92 ALDH1A1 (0.60) PTGESALDH1A1GAANPSR1SMN1; SMN2
SCHEMBL14970840 0.78 TP53 (0.71) PTGESALDH1A1SMN1; SMN2TP53THRB
SCHEMBL18559238 0.74 ALDH1A1 (1.00) ALDH1A1GAANPSR1SMN1; SMN2TP53
SCHEMBL13739459 0.74 ALDH1A1 (0.62) ALDH1A1GAANPSR1MAPTTSHR
SCHEMBL13739721 0.74 ALDH1A1 (0.58) ALDH1A1GAANPSR1MAPTTSHR
SCHEMBL20682668 0.74 GAA (0.71) ALDH1A1GAANPSR1TP53USP2
SCHEMBL18559152 0.74 GAA (0.84) ALDH1A1GAASMN1; SMN2TP53MAPT
SCHEMBL18559342 0.74 ALDH1A1 (1.00) ALDH1A1GAANPSR1SMN1; SMN2THRB
SCHEMBL15986095 0.73 LMNA (0.67) ALDH1A1GAANPSR1SMN1; SMN2TP53
SCHEMBL15983718 0.72 ALDH1A1 (0.82) PTGESALDH1A1NPSR1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER YALE UNIVERSITY 2024-07-18 — — US 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-20240239786-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT AND PREVENTION OF CANCER BRCA1, RAD51, PARP3 PTGES 1447/4885ALDH1A1 343/4885GAA 3007/4885

“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.

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