SCHEMBL7220245

SCHEMBL7220245

Cc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.79
ALDH1A1 P00352 6/20 0.77
RAB9A P51151 6/20 0.69
LMNA P02545 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
PKM P14618 1/20 0.69
MAPT P10636 3/20 0.55
ALOX12 P18054 3/20 0.50
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7224530 0.92 LTC4S (0.87) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL6847403 0.88 LTC4S (1.00) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL5888407 0.87 LTC4S (0.79) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL5888522 0.87 LTC4S (0.79) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL7624466 0.87 ALDH1A1 (1.00) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL29355043 0.87 ALDH1A1 (1.00) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL6231736 0.86 LTC4S (0.74) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL29352042 0.82 ALDH1A1 (1.00) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL13996738 0.80 ALDH1A1 (0.77) LTC4SALDH1A1RAB9ALMNAKMT2A
SCHEMBL13885949 0.79 ALDH1A1 (0.68) LTC4SALDH1A1RAB9ALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1194406-A1 PHENETYL-THIOUREA COMPOUNDS FOR TREATING HIV INFECTIONS Parker Hughes Institute (US) 2002-04-10 EP claimed
US-20020028837-A1 Phenethyl-thiourea compounds and use WAYNE HUGHES INSTITUTE 2002-03-07 US claimed
US-20010039276-A1 Phenethyl-thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2001-11-08 US claimed
US-20010003748-A1 Phenethyl-thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2001-06-14 US claimed
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 claimed
WO-2000078721-A1 PHENETYL-THIOUREA COMPOUNDS FOR TREATING HIV INFECTIONS PARKER HUGHES INSTITUTE (US) 2000-12-28 WO claimed
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

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-20020028837-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP LTC4S 3270/4885ALDH1A1 2901/4885RAB9A 2074/4885
US-20010039276-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP LTC4S 3270/4885ALDH1A1 2901/4885RAB9A 2074/4885
US-20010003748-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP LTC4S 3270/4885ALDH1A1 2901/4885RAB9A 2074/4885

“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.