SCHEMBL12470543

SCHEMBL12470543

COc1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.61
NPBWR1 P48145 7/20 0.58
MAPT P10636 7/20 0.58
RAB9A P51151 5/20 0.58
HTT P42858 5/20 0.58
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NFKB1 P19838 3/20 0.58
NFKB2 Q00653 3/20 0.58
RELA Q04206 3/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 2/20 0.58
GAA P10253 2/20 0.58
STAT1 P42224 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58
CYP1A2 P05177 2/20 0.54
CYP1A1 P04798 1/20 0.54

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
SCHEMBL12470567 0.91 MAPT (0.62) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL2244677 0.91 NPBWR1 (0.60) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL12471484 0.88 AMY1A (0.72) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL31154110 0.86 AMY1A (0.63) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL7393888 0.84 AMY1A (0.67) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL2244388 0.83 NPBWR1 (0.81) AMY1ANPBWR1MAPTRAB9AHTT
SCHEMBL7396876 0.82 ALOX5 (0.62) AMY1AGAACYP1A2CYP1A1CYP1B1
SCHEMBL5566197 0.81 NPC1 (0.78) NPBWR1MAPTRAB9AHTTMEN1
SCHEMBL7395692 0.81 AMY1A (0.62) AMY1ACYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL31737379 0.80 CYP1A1 (0.58) RAB9AHTTKMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 AMY1A 1231/4885NPBWR1 1705/4885MAPT 1956/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD AMY1A 1523/4885NPBWR1 1193/4885MAPT 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.