SCHEMBL5356186

SCHEMBL5356186

O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[C@@H](c3ccc(O)cc3O)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
HSP90AA1 P07900 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41

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
SCHEMBL5356191 1.00 MEN1 (0.45) MEN1KMT2AHSD17B1HSD17B2HSP90AA1
SCHEMBL5356224 0.86 KMT2A (0.46) MEN1KMT2AHSD17B1HSD17B2HSP90AA1
SCHEMBL5356218 0.86 KMT2A (0.46) MEN1KMT2AHSD17B1HSD17B2HSP90AA1
SCHEMBL30737053 0.84 KMT2A (0.59) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5361097 0.83 CA2 (0.50) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL5361089 0.83 CA2 (0.50) MEN1KMT2AHSD17B1HSD17B2ALDH1A1
SCHEMBL6418177 0.75 MEN1 (0.49) MEN1KMT2AGUSBALDH1A1MAPK1
SCHEMBL5366940 0.75 DPP4 (0.49) KMT2APOLBHTTNPSR1
SCHEMBL5366944 0.75 DPP4 (0.49) KMT2APOLBHTTNPSR1
SCHEMBL6418180 0.75 MEN1 (0.49) MEN1KMT2AGUSBALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US claimed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP claimed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US claimed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US claimed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US claimed
US-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-20050282899-A1 Resorcinol for lightening skin removing color BRADLEY STUART E 2005-12-22 US disclosed
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US disclosed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US disclosed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 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 (4 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-20070122367-A1 RESORCINOL DERIVATIVES LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885HSD17B1 668/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885HSD17B1 668/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 MEN1 3029/4885KMT2A 771/4885HSD17B1 669/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885HSD17B1 668/4885

“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.