SCHEMBL12567152

SCHEMBL12567152

NS(=O)(=O)NC[C@@H]1CC[C@H](n2cnc3c(-c4ccccc4)ncnc32)O1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ RIN1 Q13671 5/20 0.41
▸ NR2F2 P24468 3/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL12566427 0.85 DNPH1 (0.47) DNPH1CYP1A2ABL1RIN1NR2F2
SCHEMBL21562373 0.81 ALDH1A1 (0.55) DNPH1CYP1A2ABL1RIN1NR2F2
SCHEMBL12652510 0.78 DNPH1 (0.64) DNPH1
SCHEMBL20008060 0.77 NR2F2 (0.54) NR2F2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL12566441 0.75 BCHE (0.43) DNPH1CYP1A2BCHE
SCHEMBL12652416 0.75 DNPH1 (0.43) DNPH1CYP1A2BCHE
SCHEMBL21392957 0.75 BLM (0.55) CYP1A2ALDH1A1LMNAALBMAPK1
SCHEMBL22907485 0.73 CYP1A2 (0.43) CYP1A2ABL1RIN1NR2F2GALR3
SCHEMBL12566844 0.73 BCHE (0.44) DNPH1CYP1A2ALDH1A1LMNAALB
SCHEMBL12566802 0.73 BCHE (0.44) DNPH1CYP1A2ALDH1A1LMNAALB

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 DNPH1 336/4885CYP1A2 644/4885ABL1 2833/4885

“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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