SCHEMBL12470997

SCHEMBL12470997

O=[N+]([O-])c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.82
NPC1 O15118 7/20 0.68
MAPT P10636 7/20 0.68
RAB9A P51151 7/20 0.68
HTT P42858 5/20 0.68
MMP2 P08253 4/20 0.68
MMP9 P14780 4/20 0.68
MMP8 P22894 4/20 0.68
MMP13 P45452 3/20 0.68
CASP3 P42574 2/20 0.68
SENP8 Q96LD8 2/20 0.68
SENP7 Q9BQF6 2/20 0.68
SENP6 Q9GZR1 2/20 0.68
SMN1; SMN2 Q16637 6/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
ALDH1A1 P00352 2/20 0.61

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
SCHEMBL5566197 0.93 NPC1 (0.78) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL17898258 0.90 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL31049578 0.90 NPBWR1 (1.00) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL3193088 0.87 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL3183535 0.87 MAPT (0.66) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL28612020 0.87 MMP2 (0.71) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL10172964 0.87 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL13856173 0.87 NPBWR1 (0.80) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL2308775 0.87 NPBWR1 (0.79) NPBWR1NPC1MAPTRAB9AHTT
SCHEMBL20982681 0.87 NPC1 (0.73) NPBWR1NPC1MAPTRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619886-B Bisbenzimidazole phenoxy alkyl diamine compound and preparation method and application thereof 山东齐氟新材料有限公司 2024-10-25 CN claimed
CN-118619886-A Bisbenzimidazole phenoxy alkyl diamine compound and preparation method and application thereof 山东齐氟新材料有限公司 2024-09-10 CN claimed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
CN-118619886-B Bisbenzimidazole phenoxy alkyl diamine compound and preparation method and application thereof 山东齐氟新材料有限公司 2024-10-25 CN disclosed
CN-118619886-A Bisbenzimidazole phenoxy alkyl diamine compound and preparation method and application thereof 山东齐氟新材料有限公司 2024-09-10 CN disclosed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR NPBWR1 1705/4885NPC1 3522/4885MAPT 1956/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD NPBWR1 1193/4885NPC1 3207/4885MAPT 2700/4885

“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.