SCHEMBL221843

SCHEMBL221843

Nc1c(O)cc([N+](=O)[O-])cc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
CYP3A4 P08684 2/20 0.67
GPR35 Q9HC97 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TTR P02766 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 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
SCHEMBL219209 0.86 ALDH1A1 (0.80) ALDH1A1CYP3A4GPR35MAPTTDP1
SCHEMBL10885332 0.86 ALDH1A1 (0.57) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL8449685 0.82 ALDH1A1 (0.66) ALDH1A1CYP3A4GPR35MEN1KMT2A
Nitrogen SCHEMBL28796026 0.82 ALDH1A1 (0.74) ALDH1A1CYP3A4GPR35MAPTTDP1
SCHEMBL5123353 0.80 GAA (0.60) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL17132338 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL29448460 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4GPR35MEN1KMT2A
SCHEMBL11349866 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4GPR35ALOX15TDP1
SCHEMBL909587 0.80 ALDH1A1 (1.00) ALDH1A1CYP3A4GPR35MEN1KMT2A
Bromide SCHEMBL29483842 0.78 ALDH1A1 (0.96) ALDH1A1CYP3A4GPR35MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025064565-A1 TRICYCLIC BENZOTHIAZOLES FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2025-03-27 WO disclosed
WO-2024043741-A1 AUTOTAXIN INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 2024-02-29 WO disclosed
EP-3575303-B1 IMIDAZOPYRIDAZINE COMPOUND HANMI PHARMACEUTICAL CO LTD (KR) 2022-07-06 EP disclosed
EP-3575303-B1 IMIDAZOPYRIDAZINE COMPOUND HANMI PHARMACEUTICAL CO LTD (KR) 2022-07-06 EP disclosed
CN-110234653-B Imidazopyridazine compounds 韩美药品株式会社 2022-02-08 CN disclosed
EP-3514153-B1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM IND CO LTD (KR) 2021-07-07 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
EP-3789386-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2021-03-10 EP disclosed
US-10781217-B2 Imidazopyridazine compound HANMI PHARMACEUTICAL CO., LTD. (KR) 2020-09-22 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
US-20090197877-A1 Antibacterial Compositions PROLYSIS LTD. (GB) 2009-08-06 US disclosed
CN-101472585-A Antibacterial compositions PROLYSIS LTD (GB) 2009-07-01 CN disclosed
EP-2034997-A1 ANTIBACTERIAL COMPOSITIONS Prolysis Limited (GB) 2009-03-18 EP disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
WO-2007148093-A1 ANTIBACTERIAL COMPOSITIONS PROLYSIS LTD. (GB) 2007-12-27 WO disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 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 (3 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-20090197877-A1 Antibacterial Compositions CYCS, COX6C, INTS6 ALDH1A1 3469/4885CYP3A4 849/4885GPR35 2303/4885
US-10781217-B2 Imidazopyridazine compound MKI67, ING2, API5 ALDH1A1 31/4885CYP3A4 127/4885GPR35 2095/4885
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 ALDH1A1 333/4885CYP3A4 2685/4885GPR35 4871/4885

“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.