SCHEMBL136718

SCHEMBL136718

O=C(O)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.54
HTT P42858 2/20 0.54
CTSV O60911 2/20 0.54
CTSL P07711 2/20 0.54
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
Hydrochloric Acid SCHEMBL5875909 0.98 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL27637460 0.91 KMT2A (0.55) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL27890189 0.88 TP53 (0.71) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL616678 0.85 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15MAPT
Hydrochloric Acid SCHEMBL5875896 0.84 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL450293 0.84 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL29695698 0.84 MAPK1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4009107 0.84 MAPK1 (0.52) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL30356285 0.84 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4ALOX15MAPT
SCHEMBL4638377 0.84 KMT2A (0.60) ALDH1A1TDP1CYP3A4ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
EP-2520176-B1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP REPCE OLAJ PELLET KFT (HU) 2019-02-20 EP claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-8373005-B2 Process for the synthesis of ethers of aromatic acids E I DU PONT DE NEMOURS AND COMPANY (US) 2013-02-12 US claimed
US-20120282369-A1 METHOD FOR INCREASING THE NUTRITIONAL VALUE OF RAPESEED AND RAPE PRODUCTS WITH DECREASED OIL CONTENT ROP REPCE-OLAJ-PELLET KFT. (HU) 2012-11-08 US claimed
EP-2520176-A1 Method for increasing the nutritional value of rapeseed and rape products with decreased oil content ROP Repce-olaj-pellet Kft. (HU) 2012-11-07 EP claimed
CN-102596880-A Process for the synthesis of fluorinated ethers of aromatic acids DU PONT 2012-07-18 CN claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
EP-0902683-A1 AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES RADOPATH LIMITED (GB) 1999-03-24 EP claimed
WO-1997034593-A1 AGONISTS IN THE COSTIMULATION OF TcR/CD3-INDUCED T-LYMPHOCYTES RADOPATH LIMITED (GB) 1997-09-25 WO claimed

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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS ALDH1A1 3087/4885TDP1 277/4885CYP3A4 4051/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS ALDH1A1 3087/4885TDP1 277/4885CYP3A4 4051/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 ALDH1A1 1569/4885TDP1 3338/4885CYP3A4 797/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 ALDH1A1 1723/4885TDP1 1182/4885CYP3A4 548/4885

“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.