SCHEMBL2013681

SCHEMBL2013681

O=[N+]([O-])c1cc(Cl)cc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 3/20 0.45
CYP19A1 P11511 1/20 0.44
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GPR35 Q9HC97 1/20 0.41
ACP1 P24666 1/20 0.41
ESPL1 Q14674 1/20 0.39
LMNA P02545 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
SCHEMBL30380968 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL219410 0.84 CYP19A1 (0.55) ALDH1A1TSHRCYP19A1CYP3A4ACP1
SCHEMBL204235 0.84 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP19A1CYP3A4
SCHEMBL1026447 0.84 CYP19A1 (0.62) ALDH1A1TSHRCYP19A1CYP3A4ACP1
SCHEMBL1943699 0.84 CYP19A1 (0.62) ALDH1A1TDP1TSHRCYP19A1CYP3A4
Chlorobenzene SCHEMBL27337913 0.80 ALDH1A1 (0.53) ALDH1A1TDP1TSHRCYP19A1HSD17B10
Benzene SCHEMBL27733872 0.79 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCYP19A1CYP3A4
Nitrogen SCHEMBL9840130 0.79 CYP19A1 (0.56) ALDH1A1TDP1TSHRCYP19A1CYP3A4
Nitrogen SCHEMBL27917117 0.79 CYP19A1 (0.56) ALDH1A1TSHRCYP19A1CYP3A4ACP1
Benzene SCHEMBL27782128 0.79 CYP19A1 (0.56) ALDH1A1TSHRCYP19A1CYP3A4ACP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218379-A The synthetic method of the chloro-5-bromaniline of a kind of 3- GAO DAYUAN 2016-01-06 CN claimed
US-20130122599-A1 Fragmentation Reagents For Mass Spectrometry MICROMASS UK LIMITED (GB) 2013-05-16 US claimed
EP-2529388-A1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY Micromass UK Limited (GB) 2012-12-05 EP claimed
WO-2011092515-A1 FRAGMENTATION REAGENTS FOR MASS SPECTROMETRY MICROMASS UK LIMITED (GB) 2011-08-04 WO claimed
WO-2026090477-A1 HELICASE INHIBITORS AND USES THEREOF KIMIA THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer TOLREMO THERAPEUTICS AG (CH) 2026-04-07 US disclosed
US-12472179-B2 Combination of a CBP/p300 bromodomain inhibitor and a KRAS inhibitor for the treatment of cancer TOLREMO THERAPEUTICS AG (CH) 2025-11-18 US disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
EP-3227271-B1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RES LAB (KR) 2025-08-13 EP disclosed
US-12383624-B2 Cargo delivery system and composition comprising the same SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-08-12 US disclosed
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TOLREMO THERAPEUTICS AG (CH) 2025-07-31 US disclosed
WO-2025011623-A1 CYANOQUINOLINE-TARGETING PROTEIN DEGRADATION MOLECULE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-01-16 WO disclosed
US-7666891-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2010-02-23 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
CN-1227299-C Azo-type disperse dyes for dyeing in acid-alkaline baths HUAMAO FINE CHEMICAL CO LTD PE (CN) 2005-11-16 CN disclosed
CN-1563204-A Azo-type disperse dyes for dyeing in acid-alkaline baths HUAMAO FINE CHEMICAL CO LTD PE (CN) 2005-01-12 CN disclosed
US-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
WO-1999001442-A1 TRIAZINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1999-01-14 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 (6 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-12472179-B2 Combination of a CBP/p300 bromodomain inhibitor and a KRAS inhibitor for the treatment of cancer EP300, KRAS, BRD4 ALDH1A1 2352/4885TDP1 3289/4885TSHR 3259/4885
US-12595258-B2 Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer SLC10A1, MAPT, SLC6A6 ALDH1A1 1234/4885TDP1 763/4885TSHR 3591/4885
US-12383624-B2 Cargo delivery system and composition comprising the same ATG7, SQSTM1, BECN1 ALDH1A1 4664/4885TDP1 3713/4885TSHR 3779/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP ALDH1A1 3953/4885TDP1 3081/4885TSHR 4516/4885
US-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 ALDH1A1 1144/4885TDP1 2443/4885TSHR 479/4885
US-20250243191-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER TP53, MAPT, SLC10A1 ALDH1A1 1003/4885TDP1 751/4885TSHR 4220/4885

“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.