SCHEMBL455626

SCHEMBL455626

COc1ccc(NC(=S)NN)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.70
CYP1A2 P05177 1/20 0.68
CYP2C19 P33261 1/20 0.68
MAOB P27338 3/20 0.66
MAOA P21397 2/20 0.66
MAPT P10636 6/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 2/20 0.62
GAA P10253 2/20 0.62
MEN1 O00255 1/20 0.62
HTT P42858 1/20 0.62
KMT2A Q03164 1/20 0.62
LMNA P02545 2/20 0.58
IDO1 P14902 4/20 0.58
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
Alcohol SCHEMBL28251587 0.93 MAPT (0.64) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL8167087 0.88 CYP1A2 (0.85) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL9386726 0.86 KMT2A (0.71) HPGDMAPTALDH1A1GAAMEN1
SCHEMBL27938794 0.85 HPGD (0.66) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL455344 0.83 IDO1 (0.78) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL12177297 0.82 HPGD (1.00) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL1884695 0.82 MAOB (0.73) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL457063 0.81 MAPT (0.63) HPGDCYP1A2CYP2C19MAPTALDH1A1
SCHEMBL1259295 0.81 CYP1A2 (1.00) HPGDCYP1A2CYP2C19MAOBMAOA
SCHEMBL18031168 0.81 CYP1A2 (0.73) HPGDCYP1A2CYP2C19MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111454232-A 1,3, 4-thiadiazine compound and application thereof 南方医科大学 2020-07-28 CN claimed
WO-2016111658-A1 SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY IYIDOGAN AYSEGUL (TR) 2016-07-14 WO claimed
CN-122010896-A Bicyclol derivative, pharmaceutical composition thereof, preparation method and application thereof 中国医学科学院药物研究所 2026-05-12 CN disclosed
WO-2025087819-A1 CATALYST AND METHOD FOR PRODUCING HYDROGEN BY PROTON REDUCTION RENER (FR) 2025-05-01 WO disclosed
WO-2025046420-A1 COMPOUND TARGETING EGR-1 AND USE THEREOF FOR TREATMENT OF ATOPIC DERMATITIS 주식회사 아제라메디 2025-03-06 WO disclosed
CN-114634502-B 3-Aryl substituted thiazolidine-4-ketone-2-methylene hydrazono methylene-1H-indole derivative and preparation method thereof 复旦大学 2024-05-24 CN disclosed
CN-114634502-A 3-aryl substituted thiazolidine-4-ketone-2-ylidenehydrazonomethylene-1H-indole derivatives and preparation method thereof 复旦大学 2022-06-17 CN disclosed
WO-2022086079-A1 DERIVATIVE OF SEMICARBAZONE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2022-04-28 WO disclosed
CN-111454232-B 1,3, 4-thiadiazine compound and application thereof 南方医科大学 2021-11-23 CN disclosed
US-20210276964-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS CEDARS SINAI MEDICAL CENTER (US) 2021-09-09 US disclosed
US-10836735-B2 Compositions and methods for treating cancers CEDARS-SINAI MEDICAL CENTER (US) 2020-11-17 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
US-5506236-A TREATING HERPES VIRUS INFECTIONS SCHERING CORPORATION 1996-04-09 US disclosed
US-4268680-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-05-19 US disclosed
US-4244964-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1981-01-13 US disclosed
US-4232034-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1980-11-04 US disclosed
US-4229581-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4229460-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-10-21 US disclosed
US-4160841-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1979-07-10 US 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 (3 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-10836735-B2 Compositions and methods for treating cancers HDAC3, HDAC1, GSK3B HPGD 1439/4885CYP1A2 3443/4885CYP2C19 3944/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HPGD 1183/4885CYP1A2 1815/4885CYP2C19 2108/4885
US-20210276964-A1 COMPOSITIONS AND METHODS FOR TREATING CANCERS HDAC3, HDAC1, GSK3B HPGD 1439/4885CYP1A2 3443/4885CYP2C19 3944/4885

“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.