SCHEMBL16396603

SCHEMBL16396603

COc1cc(C(=O)Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
ALOX5 P09917 3/20 0.51
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 4/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL1099548 0.85 MEN1 (0.55) ALDH1A1ALOX5MEN1KMT2AMAPT
SCHEMBL31191372 0.85 ALDH1A1 (0.53) ALDH1A1ALOX5MEN1KMT2AMAPT
SCHEMBL419102 0.83 ALOX5 (0.55) ALDH1A1ALOX5MEN1KMT2AMAPT
SCHEMBL1719601 0.83 SMN1; SMN2 (0.68) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL16952226 0.83 ALOX5 (0.50) ALDH1A1ALOX5MEN1KMT2AMAPT
SCHEMBL16396350 0.83 MAOB (0.53) ALDH1A1ALOX5MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL29868255 0.82 SMN1; SMN2 (0.66) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL54880 0.82 ALDH1A1 (0.66) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL728757 0.82 ALDH1A1 (0.66) ALDH1A1TSHRALOX5MEN1KMT2A
SCHEMBL3580457 0.81 KMT2A (0.51) ALDH1A1ALOX5MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720034-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS Zydus Lifesciences Limited (IN) 2026-04-08 EP disclosed
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2025-05-15 US disclosed
EP-4479383-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2024-12-25 EP disclosed
WO-2024252254-A1 NOVEL COMPOUNDS TO TREAT VIRAL INFECTIONS ZYDUS LIFESCIENCES LIMITED (IN) 2024-12-12 WO disclosed
CN-119013259-A Isoquinoline derivatives as inhibitors of BAX and/or BAK, compositions and uses thereof 森尼布鲁克研究院 2024-11-22 CN disclosed
WO-2023155019-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF Sunnybrook Research Institute (CA) 2023-08-24 WO disclosed
EP-3604299-B1 CHEMICAL COMPOUND USEFUL AS INTERMEDIATE FOR PREPARING A CATECHOL-0-METHYL TRANSFERASE INHIBITOR BIAL PORTELA & CA SA (PT) 2023-07-26 EP disclosed
EP-3514153-B1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM IND CO LTD (KR) 2021-07-07 EP disclosed
EP-3789386-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2021-03-10 EP disclosed
US-10562912-B2 Heterocyclic derivatives and use thereof C&C RESEARCH LABORATORIES (KR) 2020-02-18 US disclosed
US-10280154-B2 Pyrimidine compound and pharmaceutical use thereof HANMI PHARM. CO., LTD. (KR) 2019-05-07 US disclosed
US-20190127353-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-05-02 US disclosed
US-20190127353-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-05-02 US disclosed
US-20190031643-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-01-31 US disclosed
US-20190031643-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-01-31 US disclosed
WO-2018139903-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF 한미약품 주식회사 2018-08-02 WO disclosed
EP-3004057-B1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS STAT 3 INHIBITORS C&C RES LAB (KR) 2018-07-25 EP disclosed
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2016-04-21 US disclosed
EP-3004057-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C Research Laboratories (KR) 2016-04-13 EP disclosed
WO-2014196793-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF C&C RESEARCH LABORATORIES (KR) 2014-12-11 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-10280154-B2 Pyrimidine compound and pharmaceutical use thereof TYMP, DPYD, TYMS ALDH1A1 389/4885TSHR 4233/4885ALOX5 1516/4885
US-20190031643-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS ALDH1A1 389/4885TSHR 4233/4885ALOX5 1516/4885
US-20190127353-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS ALDH1A1 389/4885TSHR 4233/4885ALOX5 1516/4885
US-20160108056-A1 HETEROCYCLIC DERIVATIVES AND USE THEREOF STAT3, JAK2, STAT5A ALDH1A1 1646/4885TSHR 1536/4885ALOX5 2874/4885
US-10562912-B2 Heterocyclic derivatives and use thereof STAT3, JAK2, STAT5A ALDH1A1 1646/4885TSHR 1536/4885ALOX5 2874/4885
US-20250154140-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF BAX AND/OR BAK, COMPOSITIONS AND USES THEREOF BAK1, BAX, BCL2 ALDH1A1 3801/4885TSHR 4782/4885ALOX5 2725/4885

“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.