SCHEMBL532044

SCHEMBL532044

O=Cc1cc([N+](=O)[O-])c(O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
ERN1 O75460 4/20 0.47
GPR35 Q9HC97 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 3/20 0.42
ALOX15 P16050 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TTR P02766 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL1607530 0.83 ERN1 (0.55) XDHALDH5A1ABATERN1GPR35
SCHEMBL4301198 0.83 ATM (0.47) XDHALDH5A1ABATERN1ALDH1A1
SCHEMBL16838199 0.83 ALDH5A1 (0.55) XDHALDH5A1ABATERN1GPR35
SCHEMBL16370945 0.81 ATM (0.48) XDHALDH5A1ABATERN1ALDH1A1
SCHEMBL518140 0.81 GPR35 (0.50) XDHALDH5A1ABATGPR35ALDH1A1
SCHEMBL2488195 0.80 ERN1 (0.51) XDHALDH5A1ABATERN1GPR35
SCHEMBL16838214 0.79 ALDH5A1 (0.55) XDHALDH5A1ABATERN1GPR35
SCHEMBL30031583 0.79 TDP1 (0.50) XDHALDH5A1ABATGPR35ALDH1A1
SCHEMBL2326899 0.79 TDP1 (0.50) XDHALDH5A1ABATGPR35ALDH1A1
SCHEMBL32665668 0.79 XDH (0.50) XDHALDH5A1ABATERN1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624019-B2 Indazole derivative, and preparation method therefor and use thereof LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2026-05-12 US disclosed
EP-4735048-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF Beone Medicines I GmbH (CH) 2026-05-06 EP disclosed
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEONE MEDICINES I GMBH (CH) 2026-04-30 US disclosed
EP-4696691-A1 TRICYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Huilun Pharmaceutical Co., Ltd. (CN) 2026-02-18 EP disclosed
WO-2025002368-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF BEIGENE, LTD. (GB) 2025-01-02 WO disclosed
CN-117964623-A Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-05-03 CN disclosed
CN-115244053-B Targeted protein degradation compound and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-01-30 CN disclosed
WO-2024020522-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
WO-2024020522-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
EP-4238968-A1 INDAZOLE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co., Ltd. (CN) 2023-09-06 EP disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
US-20150133425-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 US disclosed
EP-2852596-A1 THIENOPYRIMIDINES Bayer Pharma Aktiengesellschaft (DE) 2015-04-01 EP disclosed
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
WO-2013174744-A1 THIENOPYRIMIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 WO disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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 (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-20150133425-A1 THIENOPYRIMIDINES TYMP, DPYD, TYMS XDH 243/4885ALDH5A1 966/4885ABAT 1685/4885
US-12624019-B2 Indazole derivative, and preparation method therefor and use thereof IRAK4, IRAK1, IRAK2 XDH 2653/4885ALDH5A1 3606/4885ABAT 3317/4885
US-20260115304-A1 BIOACTIVE CONJUGATES, PREPARATION METHOD AND USE THEREOF GUSB, PSMA6, CD44 XDH 1733/4885ALDH5A1 3153/4885ABAT 3707/4885
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 XDH 570/4885ALDH5A1 803/4885ABAT 833/4885

“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.