SCHEMBL1886498

SCHEMBL1886498

COc1cc(NC(N)=S)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.45

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
SCHEMBL10662571 0.84 KDM4E (0.67) KDM4EALDH1A1L3MBTL1GAARAB9A
SCHEMBL11133373 0.83 KDM4E (0.51) HTTKDM4EALDH1A1L3MBTL1GAA
SCHEMBL457214 0.81 KDM4E (0.56) KDM4EALDH1A1L3MBTL1GAARAB9A
SCHEMBL28117084 0.81 MAPT (0.50) HTTKDM4EALDH1A1GAAMEN1
SCHEMBL1233566 0.81 SMN1; SMN2 (0.53) HTTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1887021 0.81 MAPT (0.67) HTTKDM4EALDH1A1GAARAB9A
SCHEMBL4164719 0.81 MAPT (0.47) HTTKDM4EALDH1A1L3MBTL1MEN1
SCHEMBL14031287 0.79 KDM4E (0.57) KDM4EALDH1A1L3MBTL1GAARAB9A
SCHEMBL21995716 0.79 ALDH1A1 (0.41) HTTALDH1A1GAAKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27528526 0.79 SMN1; SMN2 (0.51) HTTALDH1A1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 CN disclosed
US-20230263167-A1 METHOD OF PREPARING A BISMUTH SULFIDE PARTICLE CONTAINING ANTIBACTERIAL COMPOSITION IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-08-24 US disclosed
US-11700855-B2 Method for preventing or reducing growth of a microorganism on a surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-07-18 US disclosed
CN-108369222-B Opioid receptor modulators and uses thereof 明尼苏达大学董事会 2021-06-04 CN disclosed
US-20210061670-A1 METHOD FOR PREVENTING OR REDUCING GROWTH OF A MICROORGANISM ON A SURFACE IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2021-03-04 US disclosed
US-10934176-B2 Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2021-03-02 US disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
EP-3344997-B1 OPIOID RECEPTOR MODULATORS AND USE THEREOF UNIV MINNESOTA (US) 2020-11-18 EP disclosed
US-20200102228-A1 METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2020-04-02 US disclosed
US-10105687-B1 Heterostructured Bi2S3—ZnS photocatalysts and methods thereof IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2018-10-23 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 HTT 913/4885KDM4E 4740/4885ALDH1A1 3467/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 HTT 2551/4885KDM4E 3095/4885ALDH1A1 3209/4885

“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.