SCHEMBL15075832

SCHEMBL15075832

Cn1c(=O)[nH]c2ncn(CC(=O)Nc3cccc4ncccc34)c2c1=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ RXFP1 Q9HBX9 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ P2RX7 Q99572 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ TSHR P16473 1/20 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
SCHEMBL15384325 0.86 CYP1A2 (0.50) LMNAHTTALDH1A1SMN1; SMN2RXFP1
SCHEMBL14754487 0.84 CYP1A2 (0.68) LMNAALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL14754492 0.84 RXFP1 (0.47) LMNAALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL15075719 0.83 SMN1; SMN2 (0.50) HTTALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL15075863 0.82 TP53 (0.51) LMNAHTTALDH1A1SMN1; SMN2RXFP1
SCHEMBL15075818 0.78 CYP1A2 (0.49) LMNAALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL15075675 0.78 CYP1A2 (0.46) LMNAALDH1A1SMN1; SMN2RXFP1TP53
SCHEMBL14754387 0.73 RXFP1 (0.72) LMNAALDH1A1RXFP1TP53MEN1
SCHEMBL1060571 0.73 TRPA1 (0.69) LMNAALDH1A1RXFP1TP53MEN1
SCHEMBL1065735 0.73 LMNA (0.59) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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 LMNA 594/4885HTT 4377/4885ALDH1A1 1104/4885

“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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