SCHEMBL539833

SCHEMBL539833

O=[N+]([O-])c1cc(I)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.56
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8690078 0.83 TSHR (0.64) VCAM1TDP1TSHRMAPK1HSD17B10
SCHEMBL6840900 0.80 TSHR (0.56) TDP1TSHRMAPK1HSD17B10
SCHEMBL7721899 0.79 VCAM1 (0.59) VCAM1NPBWR1MCHR1
SCHEMBL1665978 0.78 PARP1 (0.56) TDP1TSHRMAPK1
SCHEMBL14371934 0.78 MAPT (0.43) TDP1TSHRMAPK1HSD17B10
SCHEMBL358730 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL29394047 0.78 MAPK1 (0.69) VCAM1TDP1TSHRMAPK1
SCHEMBL5992360 0.78 VCAM1 (0.60) VCAM1TDP1TSHRMAPK1
Dinitrochlorobenzene SCHEMBL20472381 0.77 HSD17B10 (0.69) VCAM1TDP1TSHRMAPK1HSD17B10
Dinitrochlorobenzene SCHEMBL39251 0.77 HSD17B10 (0.69) VCAM1TDP1TSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892873-A1 PROCESS FOR PREPARING 6-IODO-2-OXINDOLE Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP claimed
US-8975418-B2 Process for preparing 6-iodo-2-oxindole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-10 US claimed
WO-2014037307-A1 PROCESS FOR PREPARING 6-IODO-2-OXINDOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-13 WO claimed
US-20140066634-A1 PROCESS FOR PREPARING 6-IODO-2-OXINDOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US claimed
CN-107513020-B A kind of synthetic method of m-iodonitrobenzene compound NANCHANG UNIVERSITY (CN) 2019-10-29 CN disclosed
CN-107513020-A A kind of synthetic method of m-iodonitrobenzene compound 南昌大学 2017-12-26 CN disclosed
EP-3072882-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-09-28 EP disclosed
US-9249138-B2 Anti-viral compounds ABBVIE INC. (US) 2016-02-02 US disclosed
EP-2892873-A1 PROCESS FOR PREPARING 6-IODO-2-OXINDOLE Boehringer Ingelheim International GmbH (DE) 2015-07-15 EP disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-8975418-B2 Process for preparing 6-iodo-2-oxindole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-10 US disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
US-7381728-B2 Piperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LIMITED (GB) 2008-06-03 US disclosed
WO-2008008375-A2 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES AS CCR2 OR CCR9 MODULATORS FOR THE TREATMENT OF INFLAMMATION CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GLAXO GROUP LIMITED 2007-11-08 US disclosed
EP-1778679-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-02 EP disclosed
WO-2006010629-A1 PIPERAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 2006-02-02 WO disclosed
US-4684731-A NEUROLEPTIC, ANTIEMETIC, ANALGESIC HOFFMANN-LA ROCHE INC. (US) 1987-08-04 US disclosed
US-4391978-A NEUROLEPTIC AGENTS, ANTIEMETICS, ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1983-07-05 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 (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-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 VCAM1 4829/4885TDP1 3839/4885TSHR 846/4885
US-20070259877-A1 Piperazine Derivatives Useful for the Treatment of Gastrointestinal Disorders GHSR, GHRHR, GIPR VCAM1 4733/4885TDP1 4871/4885TSHR 26/4885
US-20140066634-A1 PROCESS FOR PREPARING 6-IODO-2-OXINDOLE INTS6, IP6K2, CYP2D6 VCAM1 4679/4885TDP1 3674/4885TSHR 900/4885

“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.