SCHEMBL15075966

SCHEMBL15075966

Cn1c(=O)[nH]c(=O)c2c1[nH]n2CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 2/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL15075865 0.79 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2TP53DAO
SCHEMBL19036593 0.79 KDM1A (0.44) ALDH1A1SMN1; SMN2KDM1AHPGDHSD17B10
SCHEMBL19036508 0.77 KDM4E (0.40) ALDH1A1SMN1; SMN2TP53KDM1AHPGD
SCHEMBL19036570 0.76 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL19036537 0.74 KDM1A (0.40) ALDH1A1SMN1; SMN2KDM1AHPGDHSD17B10
SCHEMBL19013803 0.70 KDM4E (0.66) ALDH1A1SMN1; SMN2TP53TSHRHPGD
SCHEMBL10695234 0.68 MAPK1 (0.57) ALDH1A1SMN1; SMN2TP53TSHRHPGD
SCHEMBL18990050 0.63 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TP53HPGDKDM4E
SCHEMBL19036662 0.63 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TP53TSHRHPGD
SCHEMBL15075764 0.62 KDM4E (0.44) ALDH1A1SMN1; SMN2TP53HPGDHSD17B10

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 ALDH1A1 1104/4885SMN1; SMN2 1895/4885TP53 1505/4885

“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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