SCHEMBL6114039

SCHEMBL6114039

NC(=O)c1nn(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.55
▸ SCN9A Q15858 1/20 0.48
▸ SLC9A1 P19634 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ IDE P14735 1/20 0.41
▸ HTR6 P50406 5/20 0.40
▸ RORC P51449 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CXCL8 P10145 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL23570044 0.78 KDM4E (0.45) ELANELMNASMN1; SMN2MEN1KMT2A
SCHEMBL9980554 0.75 SLC9A1 (0.45) SLC9A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL9400073 0.74 ELANE (0.52) ELANESLC9A1MEN1KMT2AHTT
SCHEMBL30302187 0.74 RORC (0.54) SLC9A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3040501 0.73 IDE (0.55) SLC9A1LMNASMN1; SMN2HTTIDE
SCHEMBL590143 0.73 RORC (0.41) SLC9A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL28171820 0.73 ELANE (0.61) ELANESCN9ALMNAMEN1KMT2A
SCHEMBL21958613 0.73 ELANE (0.61) ELANESCN9ALMNAMEN1KMT2A
SCHEMBL4560776 0.72 SCN9A (0.76) ELANESCN9AMEN1KMT2ARORC
SCHEMBL30695134 0.72 SCN9A (0.76) ELANESCN9AMEN1KMT2ARORC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME OCHS RAYMOND S (US) 2012-05-24 — — US disclosed
US-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME OCHS RAYMOND S (US) 2012-05-24 — — US disclosed
US-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME OCHS RAYMOND S (US) 2012-05-24 — — 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-20120130078-A1 INDAZOLE DERIVATIVES AS ADENOSINE MONOPHOSPHATE DEAMINASE (AMPD) INHIBITORS FOR USE IN DIABETES AND RELATED DISEASES OF METABOLIC SYNDROME AMPD1, AMPD3, AMPD2 ELANE 3999/4885SCN9A 3313/4885SLC9A1 2910/4885

“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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