SCHEMBL15075818

SCHEMBL15075818

Cn1c(=O)[nH]c2ncn(CC(=O)Nc3cccc4c3CCCC4)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TP53 P04637 3/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.47
▸ TSHR P16473 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL15384473 0.87 CYP1A2 (0.52) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL19036510 0.85 CYP1A2 (0.70) CYP1A2ALDH1A1MEN1KMT2ATP53
SCHEMBL15075832 0.78 LMNA (0.51) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL14754492 0.77 RXFP1 (0.47) CYP1A2ALDH1A1KMT2ALMNATP53
SCHEMBL15075863 0.75 TP53 (0.51) CYP1A2ALDH1A1MEN1KMT2ALMNA
SCHEMBL15075719 0.73 SMN1; SMN2 (0.50) CYP1A2ALDH1A1MEN1KMT2ATP53
SCHEMBL14754387 0.72 RXFP1 (0.72) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL1060571 0.72 TRPA1 (0.69) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL1065735 0.72 LMNA (0.59) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL20079660 0.72 ALDH1A1 (0.51) CYP1A2ALDH1A1MEN1KMT2ALMNA

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 — — 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP1A2 1483/4885ALDH1A1 1104/4885MEN1 1785/4885

“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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