SCHEMBL782341

SCHEMBL782341

O=[N+]([O-])c1cc(Br)[n+]([O-])c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
ALDH1A1 P00352 7/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.44
ESPL1 Q14674 1/20 0.44
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.40
VCAM1 P19320 1/20 0.40
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL942208 0.86 TSHR (0.47) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL27546397 0.81 ESPL1 (0.40) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL5865009 0.81 HTT (0.44) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL15452634 0.79 CYP19A1 (0.46) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL20553784 0.78 CYP19A1 (0.50) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL1424323 0.74 TSHR (0.45) ALDH1A1CYP3A4TSHRLMNASMN1; SMN2
SCHEMBL212845 0.73 CYP19A1 (0.81) CYP19A1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL1026447 0.72 CYP19A1 (0.62) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL219410 0.72 CYP19A1 (0.55) CYP19A1ALDH1A1CYP3A4TSHRESPL1
SCHEMBL589656 0.71 TSHR (0.56) CYP19A1ALDH1A1CYP3A4TSHRESPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903048-A Synthesis method of 4-bromo-2, 6-diaminopyridine 苏州艾缇克药物化学有限公司 2024-04-19 CN disclosed
US-9537105-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-01-03 US disclosed
CN-103249732-B The bacterial topoisomerase II of suppression 2-ethyl carbamyl amino-1,3-benzothiazole-5-base 生物区欧洲有限公司 2016-08-10 CN disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-9126970-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-09-08 US disclosed
US-9040172-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2015-05-26 US disclosed
US-8841460-B2 Tunable phenylacetylene hosts STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 2014-09-23 US disclosed
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS State of Oregon, acting by and through the State Board of Higher Education on Behalf of University (US) 2014-01-30 US disclosed
WO-2007093901-A1 3 -DEAZAPURINE DERIVATIVES AS TLR7 MODULATORS PFIZER LIMITED (GB) 2007-08-23 WO disclosed
US-20060194782-A1 Pharmacologically active imidazo[4,5-c] pyridines ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1670795-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO 4,5-C PYRIDINES ALTANA Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005026164-A1 PHARMACOLOGICALLY ACTIVE IMIDAZO[4,5-C]PYRIDINES ALTANA PHARMA AG (DE) 2005-03-24 WO disclosed
WO-2004030029-A2 CONDUCTING POLYMER DEVICES FOR INTER-CONVERTING LIGHT AND ELECTRICITY RISØ NATIONAL LABORATORY (DK) 2004-04-08 WO disclosed
EP-0819118-B1 POTASSIUM ION CHANNEL BLOCKERS POLYCHIP PHARMACEUTICALS PTY (AU) 2002-09-18 EP disclosed
US-5929082-A SULFONYL(THIO)UREA AND SULFONYLGUANIDINE COMPOUNDS; TREATMENT OF DIABETES, CARDIAC ARRHYTHMIAS, ISCHEMIA, HYPOXIC CARDIOVASCUALR DISORDERS AND CANCER POLYCHIP PHARMACEUTICALS PTY LTD (AU) 1999-07-27 US disclosed
EP-0819118-A4 POTASSIUM ION CHANNEL BLOCKERS POLYCHIP PHARMACEUTICALS PTY (AU) 1998-04-29 EP disclosed
EP-0819118-A1 POTASSIUM ION CHANNEL BLOCKERS Polychip Pharmaceuticals Pty. Ltd. (AU) 1998-01-21 EP disclosed
WO-1996030341-A1 POTASSIUM ION CHANNEL BLOCKERS POLYCHIP PHARMACEUTICALS PTY. LTD. (AU) 1996-10-03 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 (3 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-20150318478-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SLCO2B1, SLCO1B3, SLCO4C1 CYP19A1 1789/4885ALDH1A1 1226/4885CYP3A4 319/4885
US-20140031559-A1 TUNABLE PHENYLACETYLENE HOSTS NAA10, OR10J3, CBR3 CYP19A1 3409/4885ALDH1A1 4677/4885CYP3A4 3698/4885
US-20060194782-A1 Pharmacologically active imidazo[4,5-c] pyridines GIPR, VIP, PGC CYP19A1 1914/4885ALDH1A1 935/4885CYP3A4 29/4885

“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.