SCHEMBL223645

SCHEMBL223645

COc1cc(C(N)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
MAPT P10636 7/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 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
SCHEMBL29689258 1.00 PARP1 (0.55) PARP1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL5518774 0.87 ALDH1A1 (0.65) PARP1MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL1611926 0.87 PRSS1 (0.58) MAPTALDH1A1TDP1L3MBTL1LMNA
SCHEMBL30639036 0.86 CYP3A4 (0.69) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL4825935 0.86 CYP3A4 (0.69) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL29753668 0.85 TTR (0.64) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL223878 0.85 TTR (0.64) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2946181 0.85 ALDH1A1 (0.60) MAPTALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL310574 0.84 VCAM1 (0.58) MAPTALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL22698 0.84 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4007758-B1 BIS-[N-((5-CARBAMOYL)-1H-BENZO[D]IMIDAZOL-2-YL)-PYRAZOL-5-CARBOXAMIDE] DERIVATIVES AND RELATED COMPOUNDS AS STING (STIMULATOR OF INTERFERON GENES) AGONISTS FOR THE TREATMENT OF CANCER MERSANA THERAPEUTICS INC (US) 2026-05-13 EP disclosed
EP-4673439-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 EP disclosed
EP-4673445-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 EP disclosed
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 CN disclosed
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE MERSANA THERAPEUTICS, INC. 2025-01-09 US disclosed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
WO-2024180103-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2024-09-06 WO disclosed
WO-2024182414-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BIONTECH US INC. (US) 2024-09-06 WO disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
US-6770666-B2 A THERAPEUTIC AGENT FOR TREATING HEPATITIS C, BASED ON POLYMERASE INHIBITORY ACTIVITY JAPAN TOBACCO INC. (JP) 2004-08-03 US disclosed
US-20040097438-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2004-05-20 US disclosed
US-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor JAPAN TOBACCO INC. (JP) 2004-04-29 US disclosed
EP-1400241-A1 FUSED CYCLIC COMPOUNDS AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-03-24 EP disclosed
US-20030050320-A1 Fused-ring compounds and use thereof as drugs JAPAN TOBACCO INC. (JP) 2003-03-13 US disclosed
EP-0873309-B1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2002-12-18 EP disclosed
EP-1162196-A1 FUSED-RING COMPOUNDS AND USE THEREOF AS DRUGS JAPAN TOBACCO INC. (JP) 2001-12-12 EP disclosed
EP-0873309-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1998-10-28 EP disclosed
WO-1997015556-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1997-05-01 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-20040082635-A1 Viricide against hepatitis virus; polymerase inhibitor HAVCR2, ZC3HAV1, POLR1C PARP1 1899/4885MAPT 3967/4885ALDH1A1 1133/4885
US-20030050320-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, HLA-C PARP1 3338/4885MAPT 3928/4885ALDH1A1 463/4885
US-20040097438-A1 Fused-ring compounds and use thereof as drugs HAVCR2, ZC3HAV1, SLC10A1 PARP1 3226/4885MAPT 4439/4885ALDH1A1 144/4885
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 PARP1 2979/4885MAPT 517/4885ALDH1A1 2036/4885
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 PARP1 387/4885MAPT 2352/4885ALDH1A1 2527/4885
US-20250011339-A1 STING AGONIST COMPOUNDS AND METHODS OF USE STING1, IRF3, MAVS PARP1 536/4885MAPT 4779/4885ALDH1A1 4848/4885

“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.