SCHEMBL228990

SCHEMBL228990

COc1cc(Br)c([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
PRKDC P78527 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.45
CYP2D6 P10635 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
G6PD P11413 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL17038146 0.87 CYP1A2 (0.49) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL5424277 0.86 ALDH1A1 (0.51) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL29975509 0.86 ALDH1A1 (0.51) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL21816699 0.86 MAPT (0.45) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL28016967 0.85 POLB (0.58) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL27185292 0.85 ALDH1A1 (0.44) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL2540530 0.85 MAPT (0.49) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL14660718 0.85 POLB (0.58) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL7980589 0.85 ALDH1A1 (0.51) ALDH1A1MAPTPRKDCKDM4ECYP3A4
SCHEMBL3273374 0.85 MAPT (0.47) ALDH1A1MAPTPRKDCKDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7070096-A None JP disclosed
JP-7089959-A None JP disclosed
US-11802129-B1 Pyrido[3,4-b]indol-1-one compounds as anticancer agents King Faisal University (SA) 2023-10-31 US disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
EP-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 EP disclosed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 US disclosed
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 EP disclosed
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 CN disclosed
CN-107325002-B Method for synthesizing aryl halide by taking aryl carboxylic acid as raw material 南昌大学 2020-03-27 CN disclosed
US-6140328-A FOR TREATING TUMOR RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-31 US disclosed
EP-1042294-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-10-11 EP disclosed
WO-1999031067-A1 HETEROCYCLIC CYTOTOXIC AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-06-24 WO disclosed
US-5872243-A Caged nucleotides MOLECULAR PROBES, INC. (US) 1999-02-16 US disclosed
US-5556961-A Nucleosides with 5'-O-photolabile protecting groups AFFYMETRIX, INC. 1996-09-17 US disclosed
JP-H0789959-A NOVEL CHEMICAL LUMINESCENT COMPOUND DOUJIN KAGAKU KENKYUSHO:KK 1995-04-04 JP disclosed
JP-H0770096-A FLUORESCENT LABELING AGENT CONTAINING BENZO-1,3-THIAZOLE SKELETON DOUJIN KAGAKU KENKYUSHO:KK 1995-03-14 JP disclosed
US-5116851-A Administering antiischemic and antiarrhythmia agents E. R. SQUIBB & SONS, INC. (US) 1992-05-26 US disclosed
EP-0453658-A2 Use of substituted anilides and sulfonamides in the treatment of cardiovascular diseases E.R. SQUIBB & SONS, INC. (US) 1991-10-30 EP disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 ALDH1A1 1590/4885MAPT 3215/4885PRKDC 1168/4885
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 ALDH1A1 1219/4885MAPT 4855/4885PRKDC 3382/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ALDH1A1 1590/4885MAPT 3215/4885PRKDC 1168/4885
US-11802129-B1 Pyrido[3,4-b]indol-1-one compounds as anticancer agents IDO1, TYMP, AURKB ALDH1A1 1148/4885MAPT 1042/4885PRKDC 4112/4885

“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.