SCHEMBL339294

SCHEMBL339294

CNc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.58
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.49
CDC25B P30305 1/20 0.49
EGFR P00533 1/20 0.48
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
MAPK1 P28482 3/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 1/20 0.48
S100A4 P26447 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 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
Bromide SCHEMBL28051431 0.98 HCAR3 (0.57) HCAR3HTTKDM4ECDC25BEGFR
Phosphonic Acid SCHEMBL27298730 0.92 HCAR3 (0.55) HCAR3HTTKDM4ECDC25BEGFR
SCHEMBL29888063 0.88 HCAR3 (0.46) HCAR3HTTKDM4ECDC25BEGFR
SCHEMBL626410 0.85 MAPT (0.54) HCAR3HTTKDM4ECDC25BEGFR
SCHEMBL29569609 0.85 MAPT (0.54) HCAR3HTTKDM4ECDC25BEGFR
SCHEMBL16126356 0.81 MAPK1 (0.48) HCAR3HTTKDM4EABCB1ABCC1
SCHEMBL2616937 0.81 MAPK1 (0.48) HCAR3KDM4EABCB1ABCC1MAPK1
SCHEMBL3746067 0.81 KDM4E (0.46) HCAR3HTTKDM4EEGFRABCB1
SCHEMBL594213 0.81 HCAR3 (0.61) HCAR3HTTKDM4EMAPK1PKM
SCHEMBL2707255 0.81 HCAR3 (0.61) HCAR3KDM4EABCB1ABCC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684227-A The method comprises the following steps of18Synthesis method of F-fluoromethol labeling precursor 国电投核素同创(重庆)科技有限公司 2025-03-25 CN claimed
CN-108727276-A Benzimidazole derivatives and their preparation 江苏理工学院 2018-11-02 CN claimed
CN-108689945-A Preparation method of benzimidazole derivative 江苏理工学院 2018-10-23 CN claimed
CN-105399683-B Benzimidazole derivatives and process for preparing the same 江苏理工学院 2018-07-20 CN claimed
CN-105399683-A Benzimidazole derivatives and process for preparing the same UNIV JIANGSU TECHNOLOGY 2016-03-16 CN claimed
EP-3976604-B1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2026-01-21 EP disclosed
US-12509455-B2 Imidazopyridine derivatives and aza-imidazopyridine derivatives as Janus kinase 2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-12-30 US disclosed
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2025-12-09 US disclosed
EP-1602648-B2 Nitrogen-containing heterocycle derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO (JP) 2025-03-26 EP disclosed
CN-119684227-A The method comprises the following steps of18Synthesis method of F-fluoromethol labeling precursor 国电投核素同创(重庆)科技有限公司 2025-03-25 CN disclosed
CN-119684227-A The method comprises the following steps of18Synthesis method of F-fluoromethol labeling precursor 国电投核素同创(重庆)科技有限公司 2025-03-25 CN disclosed
EP-4200292-B1 1H-BENZO[D]IMIDAZOLE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2024-11-13 EP disclosed
US-6908935-B2 Calcium receptor modulating agents AMGEN INC. (US) 2005-06-21 US disclosed
US-20040082625-A1 Calcium receptor modulating agents AMGEN INC. 2004-04-29 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed
US-4138572-A Malonanilic derivatives ROUSSEL UCLAF (FR) 1979-02-06 US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 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 (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-20040082625-A1 Calcium receptor modulating agents PTH1R, CASR, CALCR HCAR3 52/4885HTT 2232/4885KDM4E 3394/4885
US-12492188-B2 1H-benzo[D]imidazole derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR7 HCAR3 2625/4885HTT 4807/4885KDM4E 781/4885
US-12509455-B2 Imidazopyridine derivatives and aza-imidazopyridine derivatives as Janus kinase 2 inhibitors and uses thereof JAK1, JAK2, JAK3 HCAR3 2533/4885HTT 1718/4885KDM4E 1637/4885

“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.