SCHEMBL5350882

SCHEMBL5350882

CS(=O)(=O)Nc1nc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.64
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SCD O00767 1/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 7/20 0.54
▸ MEN1 O00255 6/20 0.54
▸ PKM P14618 1/20 0.54
▸ THRB P10828 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ TEK Q02763 1/20 0.51
▸ FSCN1 Q16658 3/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ ACP1 P24666 1/20 0.48
▸ RIPK1 Q13546 1/20 0.47

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
SCHEMBL5354343 0.83 MAPT (0.66) PTPN1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL16317399 0.81 SCD (0.54) PTPN1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL16562250 0.81 PTPN1 (0.79) PTPN1MAPTALDH1A1HPGDSCD
SCHEMBL14375443 0.81 SCD (0.69) MAPTALDH1A1HPGDSMN1; SMN2SCD
SCHEMBL5348758 0.81 SCD (0.65) MAPTALDH1A1HPGDSMN1; SMN2SCD
SCHEMBL14375386 0.79 SMN1; SMN2 (0.72) PTPN1MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5343556 0.77 CYP3A4 (0.72) PTPN1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5352456 0.74 NPC1 (0.61) PTPN1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL27183055 0.74 KMT2A (0.68) PTPN1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL30873108 0.74 KMT2A (0.68) PTPN1MAPTALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 — — US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 — — 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 PTPN1 2670/4885MAPT 2991/4885ALDH1A1 955/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 PTPN1 2670/4885MAPT 2991/4885ALDH1A1 955/4885

“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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