SCHEMBL6827495

SCHEMBL6827495

O=c1cc(F)c2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
TNKS2 Q9H2K2 3/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 9/20 0.60
ALDH1A1 P00352 7/20 0.60
HTT P42858 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
GAA P10253 3/20 0.50
GLA P06280 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 3/20 0.47
GPR3 P46089 2/20 0.47
PARP1 P09874 2/20 0.47
TNKS O95271 2/20 0.47
MEN1 O00255 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 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
SCHEMBL8987025 0.81 HTT (0.61) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL29747197 0.80 CYP1A2 (0.48) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL377796 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL29650180 0.77 TNKS2 (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL8987046 0.76 HPGD (0.74) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL450729 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL31688848 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL1082903 0.75 DAO (0.53) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL1193735 0.75 KDM4E (1.00) CYP1A2TNKS2CYP2C19KDM4EALDH1A1
SCHEMBL31169726 0.75 CYP1A2 (0.62) CYP1A2TNKS2CYP2C19KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
US-20250108142-A1 METHODS FOR TREATING LEAKAGE FROM A GASTROINTESTINAL SITE ETHICON, INC. 2025-04-03 US disclosed
WO-2025068904-A1 METHODS FOR TREATING LEAKAGE FROM A GASTROINTESTINAL SITE ETHICON, INC. (US) 2025-04-03 WO disclosed
CN-114605320-B Synthesis method of 5-nitro-6-methylnicotinic acid ethyl ester 南京艾康生物科技有限公司 2023-12-29 CN disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
CN-114605320-A Synthesis method of 5-nitro-6-methylnicotinic acid ethyl ester 南京艾康生物科技有限公司 2022-06-10 CN disclosed
EP-3630779-A1 ANTIBIOTIC RESISTANCE BREAKERS Kings College London (GB) 2020-04-08 EP disclosed
CN-110869373-A Antibiotic resistance disruptors 伦敦皇家学院 2020-03-06 CN disclosed
WO-2018220365-A1 ANTIBIOTIC RESISTANCE BREAKERS KING'S COLLEGE LONDON (GB) 2018-12-06 WO disclosed
WO-2004089930-A1 4-FLUOROQUINOLONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS IMCLONE SYSTEMS INCORPORATED (US) 2004-10-21 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 (1 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 CYP1A2 346/4885TNKS2 2503/4885CYP2C19 820/4885

“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.