SCHEMBL5204557

SCHEMBL5204557

O=[N+]([O-])c1ccc(CNc2ccccn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.65
POLB P06746 1/20 0.65
FABP1 P07148 1/20 0.63
FABP6 P51161 1/20 0.63
KDM4E B2RXH2 1/20 0.60
PTPRF P10586 1/20 0.60
PTPN2 P17706 1/20 0.60
PTPN1 P18031 1/20 0.60
PTPN11 Q06124 1/20 0.60
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
MAPT P10636 4/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 6/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 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
Alcohol SCHEMBL14813457 0.93 CXCR4 (0.60) CXCR4SMN1; SMN2POLBFABP1FABP6
SCHEMBL20549245 0.84 FABP1 (0.58) CXCR4SMN1; SMN2POLBFABP1FABP6
SCHEMBL5211066 0.84 PTPRF (0.63) SMN1; SMN2POLBKDM4EPTPRFPTPN2
SCHEMBL589266 0.83 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ERAB9A
SCHEMBL29351380 0.83 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ERAB9A
SCHEMBL5649144 0.79 SMN1; SMN2 (1.00) SMN1; SMN2POLBFABP1FABP6KDM4E
SCHEMBL10055030 0.79 CXCR4 (0.89) CXCR4FABP1FABP6KDM4ERAB9A
SCHEMBL2230559 0.78 FABP1 (1.00) CXCR4SMN1; SMN2POLBFABP1FABP6
SCHEMBL29664808 0.78 FABP1 (1.00) CXCR4SMN1; SMN2POLBFABP1FABP6
SCHEMBL5175212 0.78 CXCR4 (0.55) CXCR4SMN1; SMN2POLBFABP1FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246915-A1 AMINONAPHTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-07-25 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP disclosed
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2020-05-14 US disclosed
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases TAIPEI MEDICAL UNIVERSITY (TW) 2020-03-03 US disclosed
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases TAIPEI MEDICAL UNIVERSITY (TW) 2020-03-03 US disclosed
US-20180319749-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2018-11-08 US disclosed
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 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 (5 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-20200148643-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 CXCR4 4815/4885SMN1; SMN2 713/4885POLB 303/4885
US-10577328-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases PSMB1, UBQLN1, PSMB5 CXCR4 4730/4885SMN1; SMN2 574/4885POLB 551/4885
US-20180319749-A1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, UBQLN2, PSMB1 CXCR4 4815/4885SMN1; SMN2 713/4885POLB 303/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 CXCR4 4793/4885SMN1; SMN2 894/4885POLB 216/4885
US-20240246915-A1 AMINONAPHTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES UBQLN1, ADRM1, UBQLN2 CXCR4 4842/4885SMN1; SMN2 1213/4885POLB 396/4885

“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.