SCHEMBL4037544

SCHEMBL4037544

CC(NC(N)=S)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC6 Q9UBN7 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 2/20 0.46

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
SCHEMBL5530166 1.00 MAPT (0.55) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL9063455 0.86 MAPT (0.50) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL3426260 0.84 ACACB (0.64) MAPTALDH1A1HTTHPGDLMNA
SCHEMBL11749030 0.84 MAPT (0.49) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL5044206 0.84 MAPT (0.49) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL27773043 0.83 HSD17B10 (0.53) MAPTALDH1A1KDM4EHSD17B10HTT
SCHEMBL27676416 0.82 HTT (0.44) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL27676419 0.82 HTT (0.44) MAPTHDAC3HDAC4HDAC1HDAC6
Zinc Ion SCHEMBL2921239 0.81 MAPT (0.47) MAPTHDAC3HDAC4HDAC1HDAC6
SCHEMBL28527565 0.81 HSD17B10 (0.52) MAPTHDAC6ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP claimed
JP-2006522109-A 2006-09-28 JP claimed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP claimed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 WO claimed
US-4177072-A HYDROPHILIC AND OLEOPHILIC AREAS FUJI PHOTO FILM CO., LTD. (JP) 1979-12-04 US claimed
US-20240091386-A1 COMPOSITIONS, METHODS, MODELS AND USES FOR SIMIAN VARICELLA VIRUS (SVV) CHIMERIC CONSTRUCTS IN HUMAN HEALTH CONDITIONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2024-03-21 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
US-20060173096-A1 Aqueous ink composition, and ink jet recording method and recorded matter using the same SEIKO EPSON CORPORATION 2006-08-03 US disclosed
US-6586450-B2 E.g., (2-(4-methoxyphenethyl))-N'-(2-(5-bromopyridyl))-thiourea; enzyme inhibitors of reverse transcriptase; viricides for HIV infection, including mutant, drug-sensitive, drug and multi-drug resistance strains PARKER HUGHES INSTITUTE 2003-07-01 US disclosed
US-6407246-B2 REVERSE TRANSCRIPTASE INHIBITORS TO TREAT HIV PARKER HUGHES INSTITUTE 2002-06-18 US disclosed
EP-1194406-A1 PHENETYL-THIOUREA COMPOUNDS FOR TREATING HIV INFECTIONS Parker Hughes Institute (US) 2002-04-10 EP disclosed
US-6362228-B2 CYCLOALKY OR HETEROCYCLIC SUBSTITUTED PHENETHYL-THIOUREA COMPOUNDS USED AS INHIBITOR OF REVERSE TRANSCRIPTASE AND EFFECTIVE AGENTS FOR HIV INFECTION TREATMENT, INCLUDING MUTANT, DRUG SENSITIVE OR DRUG RESISTANT STRAINS OF HIV PARKER HUGHES INSTITUTE 2002-03-26 US disclosed
US-20020028837-A1 Phenethyl-thiourea compounds and use WAYNE HUGHES INSTITUTE 2002-03-07 US disclosed
US-20010039276-A1 Phenethyl-thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2001-11-08 US disclosed
US-20010003748-A1 Phenethyl-thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2001-06-14 US disclosed
US-6207688-B1 TREATING MULTI-DRUG RESISTANT, NON-NUCLEOSIDE REVERSE TRANSCRIPTASE RESISTANT, AND THERAPY NAIVE HIV INFECTION BY ADMINISTERING PHENETHYL-THIOUREA DERIVATIVE PARKER HUGHES INSTITUTE 2001-03-27 US disclosed
WO-2000078721-A1 PHENETYL-THIOUREA COMPOUNDS FOR TREATING HIV INFECTIONS PARKER HUGHES INSTITUTE (US) 2000-12-28 WO disclosed
CN-1264384-A Fused 1,2,4-thiadiazine derivatives, their preparation method and use NOVO NORDISK AS (DK) 2000-08-23 CN disclosed
US-5198454-A Use of OB-104 to treat ocular inflammation TEXAS A&M UNIVERSITY SYSTEM (US) 1993-03-30 US disclosed
US-4177072-A HYDROPHILIC AND OLEOPHILIC AREAS FUJI PHOTO FILM CO., LTD. (JP) 1979-12-04 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 (4 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-20020028837-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP MAPT 214/4885HDAC3 4218/4885HDAC4 2833/4885
US-20010039276-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP MAPT 214/4885HDAC3 4218/4885HDAC4 2833/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 MAPT 680/4885HDAC3 1287/4885HDAC4 1085/4885
US-20010003748-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP MAPT 214/4885HDAC3 4218/4885HDAC4 2833/4885

“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.