SCHEMBL383103

SCHEMBL383103

N#Cc1ccc(NN)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.43
BLM P54132 1/20 0.39
IDO1 P14902 2/20 0.39
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL17633140 0.80 ABCG2 (0.46) ABCG2BLMIDO1MAOBMAOA
SCHEMBL3623834 0.76 TRPV4 (0.52) IDO1TRPV4
SCHEMBL12844693 0.76 IDO1 (0.42) IDO1ALDH1A1KDM4EHTTMAPT
SCHEMBL426896 0.76 ABCG2 (0.44) ABCG2BLMIDO1ALDH1A1KDM4E
SCHEMBL425967 0.76 IDO1 (0.63) BLMIDO1GRM4ALDH1A1KDM4E
SCHEMBL28286735 0.76 ABCG2 (0.43) ABCG2BLMALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL5057770 0.74 TRPV4 (0.50) IDO1TRPV4
Hydrochloric Acid SCHEMBL423366 0.74 IDO1 (0.61) BLMIDO1GRM4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL425553 0.74 ABCG2 (0.43) ABCG2BLMIDO1ALDH1A1KDM4E
SCHEMBL28296270 0.74 TRPV4 (0.50) IDO1TRPV4

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2017-09-14 US disclosed
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
US-9737509-B1 Antimicrobial compositions, methods of use, and methods of treatment of infections UNIVERSITY OF SOUTH FLORIDA (US) 2017-08-22 US disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
EP-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO disclosed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP disclosed
WO-2007101156-A1 CYCLOHEXYLAMINO, BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2007-09-07 WO disclosed
WO-2007101156-A1 CYCLOHEXYLAMINO, BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2007-09-07 WO disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
US-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2007-09-06 US disclosed
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide ESANEX, INC. 2006-09-21 US disclosed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 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 (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-20070207984-A1 Cyclohexylamino Benzene, Pyridine, and Pyridazine Derivatives HRH4, P2RX4, CDK4 ABCG2 600/4885BLM 1507/4885IDO1 362/4885
US-20170260174-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ABCG2 406/4885BLM 1208/4885IDO1 365/4885
US-20060211737-A1 Anticancer, inflammation, arthritis, angiogenesis, neurodegenerative diseases, fungal infections, malaria; Heat-shock protein 90 inhibitors; 4-(6,6-Dimethyl-4-oxo-3-methyl-4,5,6,7-tetrahydro-indazol-1-yl)-2-(3,4,5-trimethoxyanilino)-benzamide HSF1, HSPA4, HSP90AB1 ABCG2 1561/4885BLM 4367/4885IDO1 360/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 ABCG2 406/4885BLM 1208/4885IDO1 365/4885

“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.