SCHEMBL21247083

SCHEMBL21247083

O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1Cl

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.86
PKM P14618 1/20 0.67
ALDH1A1 P00352 3/20 0.61
MAPK1 P28482 2/20 0.61
VCAM1 P19320 2/20 0.57
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KMT2A Q03164 2/20 0.56
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL30007934 1.00 KDM4E (0.86) KDM4EPKMALDH1A1MAPK1VCAM1
SCHEMBL23148212 0.87 KDM4E (0.67) KDM4EPKMALDH1A1MAPK1VCAM1
SCHEMBL30008583 0.87 KDM4E (0.67) KDM4EPKMALDH1A1MAPK1VCAM1
SCHEMBL28508912 0.84 KDM4E (0.62) KDM4EPKMALDH1A1MAPK1VCAM1
SCHEMBL6564231 0.83 KDM4E (0.61) KDM4EPKMALDH1A1MAPK1LMNA
SCHEMBL6563554 0.81 KDM4E (0.59) KDM4EPKMALDH1A1MAPK1LMNA
SCHEMBL1873507 0.81 PKM (1.00) KDM4EPKMALDH1A1MAPK1LMNA
SCHEMBL5813426 0.81 ALDH1A1 (0.87) KDM4EPKMALDH1A1MAPK1LMNA
SCHEMBL3435820 0.80 ALDH1A1 (0.65) KDM4EPKMALDH1A1MAPK1KMT2A
SCHEMBL27548843 0.80 KDM4E (0.62) KDM4EALDH1A1MAPK1VCAM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749645-B1 3-(BENZYLAMINO)-4-(CYCLOHEXYLAMINO)-N-(2-(PIPERAZIN-1-YL)ETHYL)BENZENESULFONAMIDE DERIVATIVES AND RELATED FERROSTATIN-1 ANALOGUES AS CELL DEATH INHIBITORS FOR TREATING E.G. STROKE VIB VZW (BE) 2025-01-22 EP disclosed
CN-112105601-B Benzenesulfonamide derivatives and related FERROSTATIN-1 analogs as cell death inhibitors 维伯VZW公司 2022-11-18 CN disclosed
US-11339124-B2 3-(benzylamino)-4-(cyclohexylamino)-n-(2-(piperazin-1-yl)ethyl)benzenesulfonamide derivatives and related ferrostatin-1 analogues as cell death inhibitors for treating e.g. stroke UNIVERSITEIT ANTWERPEN (BE) 2022-05-24 US disclosed
US-20210094909-A1 3-(BENZYLAMINO)-4-(CYCLOHEXYLAMINO)-N-(2-(PIPERAZIN-1-YL)ETHYL)BENZENESULFONAMIDE DERIVATIVES AND RELATED FERROSTATIN-1 ANALOGUES AS CELL DEATH INHIBITORS FOR TREATING E.G. STROKE VIB VZW (BE) 2021-04-01 US disclosed
CN-112105601-A 3- (benzylamino) -4- (cyclohexylamino) -N- (2-piperazin-1-yl) ethyl) benzenesulfonamide derivatives and related FERROSTATIN-1 analogs as cell death inhibitors for the treatment of, for example, stroke 维伯VZW公司 2020-12-18 CN disclosed
EP-3749645-A1 3-(BENZYLAMINO)-4-(CYCLOHEXYLAMINO)-N-(2-(PIPERAZIN-1-YL)ETHYL)BENZENESULFONAMIDE DERIVATIVES AND RELATED FERROSTATIN-1 ANALOGUES AS CELL DEATH INHIBITORS FOR TREATING E.G. STROKE VIB vzw (BE) 2020-12-16 EP disclosed
WO-2019154795-A1 3-(BENZYLAMINO)-4-(CYCLOHEXYLAMINO)-N-(2-(PIPERAZIN-1-YL)ETHYL)BENZENESULFONAMIDE DERIVATIVES AND RELATED FERROSTATIN-1 ANALOGUES AS CELL DEATH INHIBITORS FOR TREATING E.G. STROKE VIB VZW (BE) 2019-08-15 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 (2 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-11339124-B2 3-(benzylamino)-4-(cyclohexylamino)-n-(2-(piperazin-1-yl)ethyl)benzenesulfonamide derivatives and related ferrostatin-1 analogues as cell death inhibitors for treating e.g. stroke AIFM2, AIFM1, FECH KDM4E 1954/4885PKM 1509/4885ALDH1A1 1533/4885
US-20210094909-A1 3-(BENZYLAMINO)-4-(CYCLOHEXYLAMINO)-N-(2-(PIPERAZIN-1-YL)ETHYL)BENZENESULFONAMIDE DERIVATIVES AND RELATED FERROSTATIN-1 ANALOGUES AS CELL DEATH INHIBITORS FOR TREATING E.G. STROKE AIFM2, AIFM1, FECH KDM4E 1954/4885PKM 1509/4885ALDH1A1 1533/4885

“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.