SCHEMBL412396

SCHEMBL412396

O=C(O)CNc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
KDM4E B2RXH2 8/20 0.57
TDP1 Q9NUW8 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
CA12 O43570 2/20 0.57
CA4 P22748 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.56
HSD17B10 Q99714 2/20 0.56
RECQL P46063 1/20 0.56
GAA P10253 2/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54

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
SCHEMBL29527726 1.00 PARP1 (0.58) PARP1KDM4ETDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4837088 1.00 PARP1 (0.58) PARP1KDM4ETDP1MEN1KMT2A
SCHEMBL27402566 0.88 KDM4E (0.52) PARP1KDM4ETDP1MEN1KMT2A
SCHEMBL27633078 0.87 KDM4E (0.50) PARP1KDM4ETDP1MEN1KMT2A
SCHEMBL28451126 0.84 PARP1 (0.50) PARP1KDM4ETDP1MEN1KMT2A
SCHEMBL10662269 0.84 CDC25B (0.57) PARP1KDM4ETDP1MEN1KMT2A
SCHEMBL11054412 0.84 CA12 (0.55) KDM4ETDP1MEN1KMT2ACA12
SCHEMBL1531500 0.84 KDM4E (0.62) KDM4ETDP1MEN1KMT2ACA12
Hydrochloric Acid SCHEMBL808814 0.83 CYP1A2 (0.60) KDM4ETDP1MEN1KMT2ACA12
SCHEMBL9016205 0.82 CA12 (0.62) KDM4ETDP1MEN1KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3592761-B1 NEW ANTIBACTERIAL PRODUCTS UNIV LIVERPOOL (GB) 2025-05-14 EP claimed
WO-2024256834-A1 TEIXOBACTINS ANALOGUES AS ANTI-BIOFILM AGENTS UNIVERSITY OF LIVERPOOL (GB) 2024-12-19 WO claimed
US-20240368224-A1 BICYCLIC PEPTIDYL PAN-RAS INHIBITORS OHIO STATE INNOVATION FOUNDATION 2024-11-07 US claimed
US-20240327463-A1 ANTIBACTERIAL PRODUCTS THE UNIVERSITY OF LIVERPOOL (GB) 2024-10-03 US claimed
EP-4358989-A2 BICYCLIC PEPTIDYL PAN-RAS INHIBITORS Ohio State Innovation Foundation (US) 2024-05-01 EP claimed
US-11897970-B2 Antibacterial products THE UNIVERSITY OF LIVERPOOL (GB) 2024-02-13 US claimed
WO-2022271810-A2 BICYCLIC PEPTIDYL PAN-RAS INHIBITORS OHIO STATE INNOVATION FOUNDATION (US) 2022-12-29 WO claimed
US-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS THE UNIVERSITY OF LIVERPOOL (GB) 2021-05-13 US claimed
CN-110582506-A Novel antimicrobial products 林肯大学 2019-12-17 CN claimed
WO-2018162922-A1 NEW ANTIBACTERIAL PRODUCTS UNIVERSITY OF LINCOLN (GB) 2018-09-13 WO claimed
EP-0764151-A2 PURIFICATION OF SERINE PROTEASE AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1997-03-26 EP claimed
US-5541348-A Bile acids for biological and chemical applications and processes for the production thereof NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1996-07-30 US claimed
WO-1995034538-A2 PURIFICATION OF SERINE PROTEASES AND SYNTHETIC INHIBITORS THEREOF UNIVERSITAIRE INSTELLING ANTWERPEN (BE) 1995-12-21 WO claimed
EP-0464488-B1 Optically active N-alpha-fluoroacryloyl-aminoacid derivatives, their preparation, optically active polymers prepared therefrom and their use for the separation of racemates BAYER AG (DE) 1995-09-27 EP claimed
EP-0584664-A1 Polymerizable dipeptides: preparation, polymerization and use of polymers for the chromatographic separation of enantiomers BAYER AG (DE) 1994-03-02 EP claimed
EP-0299793-B1 PACKING MATERIALS FOR ANALYSING ENANTIOMER MIXTURES BY LIQUID CHROMATOGRAPHY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-31 EP claimed
EP-0464488-A2 Optically active N-alpha-fluoroacryloyl-aminoacid derivatives, their preparation, optically active polymers prepared therefrom and their use for the separation of racemates BAYER AG (DE) 1992-01-08 EP claimed
EP-0299793-A2 Packing materials for analysing enantiomer mixtures by liquid chromatography SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-01-18 EP claimed
US-4578386-A CONGESTIVE HEART FAILURE USV PHARMACEUTICAL CORP. (US) 1986-03-25 US claimed
US-4459349-A A 2-NAPHTHYL-4,5-DIPHENYLIMIDAZOLYL DIMER, UNSATURATED MONOMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 1984-07-10 US claimed

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-20210139539-A1 NEW ANTIBACTERIAL PRODUCTS DBI, MRPL21, NRDC PARP1 2819/4885KDM4E 3275/4885TDP1 4757/4885
US-20240368224-A1 BICYCLIC PEPTIDYL PAN-RAS INHIBITORS KRAS, HRAS, NRAS PARP1 1631/4885KDM4E 4608/4885TDP1 3235/4885
US-11897970-B2 Antibacterial products DBI, PDIA5, ABCB11 PARP1 2440/4885KDM4E 2792/4885TDP1 4630/4885
US-20240327463-A1 ANTIBACTERIAL PRODUCTS DBI, PDIA5, ABCB11 PARP1 2440/4885KDM4E 2792/4885TDP1 4630/4885

“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.