SCHEMBL398765

SCHEMBL398765

NNN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CASP3 P42574 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CDC25B P30305 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.43
APAF1 O14727 1/20 0.43
TERT O14746 1/20 0.43
NPC1 O15118 1/20 0.43
PLIN1 O60240 1/20 0.43

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
Water SCHEMBL16198039 0.95 CYP1A2 (0.52) CYP1A2KDM4EMAPTRAB9ANPSR1
SCHEMBL28047152 0.81 ALDH1A1 (0.61) CYP1A2KDM4EMAPTRAB9ANPSR1
SCHEMBL9184880 0.79 CYP1A2 (0.60) CYP1A2KDM4EMAPTRAB9ANPSR1
SCHEMBL28353965 0.79 PABPC1 (0.51) KDM4EMAPTRAB9AALDH1A1MEN1
SCHEMBL5159132 0.76 CES1 (0.52) NPSR1ALDH1A1CES2BCHEMAOA
SCHEMBL28377273 0.76 ALDH1A1 (0.51) KDM4EMAPTRAB9ANPSR1ALDH1A1
SCHEMBL12705657 0.75 CYP1A2 (0.56) CYP1A2KDM4EMAPTRAB9ANPSR1
SCHEMBL28158463 0.75 CYP1A2 (0.56) CYP1A2KDM4EMAPTRAB9ANPSR1
SCHEMBL14256476 0.75 CYP1A2 (0.50) CYP1A2KDM4EMAPTRAB9ANPSR1
Water SCHEMBL28254233 0.74 CES1 (0.50) NPSR1ALDH1A1CES2BCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600699-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-14 US disclosed
US-12595233-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2026-04-07 US disclosed
US-12038438-B2 Enzyme quantification BIO-RAD LABORATORIES, INC. (US) 2024-07-16 US disclosed
US-20230219043-A1 DROPLET LIBRARIES BIO-RAD LABORATORIES, INC. 2023-07-13 US disclosed
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2023-04-13 US disclosed
US-11596908-B2 Droplet libraries BIO-RAD LABORATORIES, INC. (US) 2023-03-07 US disclosed
US-11534727-B2 Droplet libraries BIO-RAD LABORATORIES, INC. (US) 2022-12-27 US disclosed
US-11511242-B2 Droplet libraries BIO-RAD LABORATORIES, INC. (US) 2022-11-29 US disclosed
US-20220306577-A1 THIOSEMICARBAZATES AND USES THEREOF FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2022-09-29 US disclosed
US-11440881-B2 Thiosemicarbazates and uses thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2022-09-13 US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 EP disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
EP-1091946-B1 NEW 2-AMINOTHIAZOL-FUSED 2-AMINOINDANS AND 2-AMINOTETRALINS AND THEIR USE WIKSTROEM HAKAN VILHELM (NL) 2004-03-17 EP disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 US disclosed
US-6291494-B1 2-aminothiazol-fused 2-aminoindans and 2-aminotetralins and their use ASTRAZENECA AB (SE) 2001-09-18 US disclosed
EP-1086076-A1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE Vertex Pharmaceuticals Incorporated (US) 2001-03-28 EP disclosed
WO-1999065870-A2 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-12-23 WO disclosed
US-5567411-A ADMINISTERING TO A WARM-BLOODED ANIMAL TO OBTAIN A MAGNETIC RESONANCE IMAGE OF SUBJECT STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF OREGON (US) 1996-10-22 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 (8 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-11440881-B2 Thiosemicarbazates and uses thereof TST, ABAT, AADAC CYP1A2 3108/4885KDM4E 2658/4885MAPT 1493/4885
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885KDM4E 1492/4885MAPT 1933/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885KDM4E 1492/4885MAPT 1933/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP CYP1A2 1871/4885KDM4E 1492/4885MAPT 1933/4885
US-12595233-B2 Thiosemicarbazates and uses thereof TST, THRB, HSPB1 CYP1A2 3031/4885KDM4E 2783/4885MAPT 3154/4885
US-20230111252-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC CYP1A2 3108/4885KDM4E 2658/4885MAPT 1493/4885
US-12600699-B2 Thiosemicarbazates and uses thereof MET, THRB, ABAT CYP1A2 2469/4885KDM4E 2649/4885MAPT 1679/4885
US-20220306577-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC CYP1A2 3108/4885KDM4E 2658/4885MAPT 1493/4885

“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.