SCHEMBL12567124

SCHEMBL12567124

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(NCc4ccc(Cl)cc4)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NR2F2 P24468 2/20 0.46
▸ SLC29A1 Q99808 3/20 0.45
▸ CTSL P07711 1/20 0.45
▸ PAX8 Q06710 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ADORA3 P0DMS8 1/20 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
SCHEMBL12652607 0.91 NR2F2 (0.54) NPC1RAB9ASMN1; SMN2NR2F2SLC29A1
SCHEMBL12566819 0.91 NPC1 (0.58) NPC1RAB9ASMN1; SMN2NR2F2SLC29A1
SCHEMBL10242201 0.82 CTSL (0.49) NPC1RAB9ASMN1; SMN2SLC29A1CTSL
SCHEMBL12566837 0.81 CCNA2 (0.43) NPC1RAB9ASMN1; SMN2ADORA3
SCHEMBL12652428 0.81 BCHE (0.43) NFKB1BLMALDH1A1CYP1A2
SCHEMBL12567224 0.80 ADORA3 (0.44) NPC1RAB9ASMN1; SMN2PAX8TSHR
SCHEMBL1794568 0.80 SLC29A1 (0.64) SLC29A1ADORA3
SCHEMBL20008035 0.80 ABL1 (0.50) ABL1RIN1NPC1RAB9ASMN1; SMN2
SCHEMBL20008060 0.79 NR2F2 (0.54) NPC1RAB9ASMN1; SMN2NR2F2SLC29A1
SCHEMBL192286 0.79 NAE1 (0.54) CTSLADORA3

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 ABL1 2833/4885RIN1 1844/4885NPC1 3774/4885

“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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