SCHEMBL8588124

SCHEMBL8588124

CCOc1ccc(N=N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.64
ADRA2A P08913 2/20 0.57
TDP1 Q9NUW8 2/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
LTA4H P09960 2/20 0.48
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
PARP10 Q53GL7 1/20 0.44
RELA Q04206 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL31644346 0.83 CYP2C9 (0.54) TSHRALDH1A1CYP1A2PRSS1LTA4H
SCHEMBL8762872 0.81 NQO1 (0.70) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL4401293 0.81 NQO1 (0.70) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL8762877 0.81 NQO1 (0.70) NQO1ADRA2ATDP1TSHRKMT2A
1,4-Diethoxybenzene SCHEMBL28186701 0.80 NQO1 (1.00) NQO1ADRA2ATDP1TSHRALDH1A1
1,4-Diethoxybenzene SCHEMBL124015 0.80 NQO1 (1.00) NQO1ADRA2ATDP1TSHRALDH1A1
SCHEMBL2090733 0.79 NQO1 (0.67) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL9868918 0.78 NR5A1 (0.59) TSHRCYP1A2LTA4HMAPT
SCHEMBL5532994 0.77 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A
SCHEMBL19953032 0.77 NQO1 (0.64) NQO1ADRA2ATDP1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US claimed
US-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2022-05-12 US disclosed
WO-2020139291-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES ISTANBUL MEDIPOL UNIVERSITESI (TR) 2020-07-02 WO disclosed
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 EP disclosed
US-7169697-B2 Semiconductor device and manufacturing method of the same KABUSHIKI KAISHA TOSHIBA (JP) 2007-01-30 US disclosed
WO-1998037150-A1 TRIFLUOROMETHYL-SUBSTITUTED AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1998-08-27 WO disclosed
US-4196291-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1980-04-01 US disclosed
US-4141978-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-02-27 US disclosed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US disclosed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US disclosed
US-4001411-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 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 (1 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-20220143005-A1 NAPHTHALIMIDE DERIVATIVES AS ANTI-PARASITIC AGENTS FOR THE TREATMENT OF LEISHMANIASIS AS WELL AS VIRAL, BACTERIAL AND NEOPLASTIC DISEASES NPM1, ECI1, IPO5 NQO1 344/4885ADRA2A 4466/4885TDP1 2074/4885

“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.