SCHEMBL3947840

SCHEMBL3947840

[CH2]CCN1CCN(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 2/20 0.40
CYP2D6 P10635 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 1/20 0.37
SLC18A3 Q16572 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL3971866 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL387453 0.85
SCHEMBL235856 0.85
SCHEMBL154974 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL13833159 0.85 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL10483535 0.85 ALOX15 (0.44) ALDH1A1KDM4EPKMSIGMAR1HRH3
SCHEMBL3947885 0.84 KDM4E (0.38) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL477222 0.83 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2ALMNAHTT
Hydrochloric Acid SCHEMBL11139073 0.82 ALDH1A1 (0.62) ALDH1A1KDM4EKMT2ALMNAHTT
SCHEMBL3970199 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158397-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2024-05-16 US claimed
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 US claimed
EP-4242210-A1 NEW BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF China Pharmaceutical University (CN) 2023-09-13 EP claimed
CN-116507628-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2023-07-28 CN claimed
US-11607465-B2 Uses of labeled HSP90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2023-03-21 US claimed
US-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 SLOAN KETTERING INST CANCER RES (US) 2023-03-02 US claimed
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2021-05-13 US claimed
CN-112358483-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2021-02-12 CN claimed
EP-3208615-B1 USES OF LABELED HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2019-10-09 EP claimed
US-10336757-B2 Treatment of neurodegenerative diseases through inhibition of HSP90 SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-07-02 US claimed
CN-1333754-A Benzoheterocycles and their use as MEK inhibitors WARNER LAMBERT CO (US) 2002-01-30 CN claimed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
EP-1144362-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP claimed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
WO-2000041994-A1 4-ARYLAMINO, 4-ARYLOXY, AND 4-ARYLTHIO DIARYLAMINES AND DERIVATIVES THEREOF AS SELECTIVE MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-0152379-A2 Process for preparing pharmaceutical compositions containing unilamellar liposomes CIBA-GEIGY AG (CH) 1985-08-21 EP 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 (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-10336757-B2 Treatment of neurodegenerative diseases through inhibition of HSP90 HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 1851/4885KDM4E 4392/4885KMT2A 3897/4885
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA4, GABRA1, GABRA5 ALDH1A1 1744/4885KDM4E 1651/4885KMT2A 2078/4885
US-20240158397-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 1998/4885KDM4E 4480/4885KMT2A 4309/4885
US-11607465-B2 Uses of labeled HSP90 inhibitors HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 1352/4885KDM4E 3119/4885KMT2A 2799/4885
US-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 1998/4885KDM4E 4480/4885KMT2A 4309/4885
US-20210138091-A1 USES OF LABELED HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AA1 ALDH1A1 1352/4885KDM4E 3119/4885KMT2A 2799/4885

“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.