SCHEMBL6231736

SCHEMBL6231736

COc1ccc(CCNC(=S)Nc2ccc(Br)cn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.74
ALDH1A1 P00352 5/20 0.72
TSHR P16473 1/20 0.64
LMNA P02545 9/20 0.61
KDM4E B2RXH2 1/20 0.56
ALOX12 P18054 5/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.55
NPC1 O15118 1/20 0.53
FPR2 P25090 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51

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 0.89 LTC4S (0.87) LTC4SALDH1A1TSHRLMNAKDM4E
SCHEMBL7220245 0.86 LTC4S (0.79) LTC4SALDH1A1TSHRLMNAKDM4E
SCHEMBL6231342 0.86 ALDH1A1 (0.69) LTC4SALDH1A1TSHRLMNAALOX12
SCHEMBL6847403 0.85 LTC4S (1.00) LTC4SALDH1A1TSHRLMNAKDM4E
SCHEMBL16562110 0.85 TSHR (0.69) LTC4SALDH1A1TSHRLMNARAB9A
SCHEMBL5888522 0.84 LTC4S (0.79) LTC4SALDH1A1LMNAALOX12RAB9A
SCHEMBL5888407 0.84 LTC4S (0.79) LTC4SALDH1A1LMNAALOX12RAB9A
SCHEMBL7624466 0.84 ALDH1A1 (1.00) LTC4SALDH1A1LMNAKDM4EALOX12
SCHEMBL29355043 0.84 ALDH1A1 (1.00) LTC4SALDH1A1LMNAKDM4EALOX12
SCHEMBL6246077 0.83 ALDH1A1 (0.56) LTC4SALDH1A1TSHRRAB9AMAPT

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 26 patents — showing the first 20. 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
EP-1064263-B1 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION PARKER HUGHES INST (US) 2005-12-07 EP disclosed
US-6925388-B1 Heterocyclic nonnucleoside inhibitors of reverse transcriptase PARKER HUGHES INSTITUTE (US) 2005-08-02 US disclosed
US-20050153995-A1 Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and methods for use thereof PARKER HUGHES INSTITUTE (US) 2005-07-14 US disclosed
EP-1528057-A1 Nonnucleoside inhibitors of reverse transcriptase for the treatment of HIV infection Parker Hughes Institute (US) 2005-05-04 EP 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
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
US-6180654-B1 THERAPY FOR HUMAN IMMUNODEFICIENCY VIRUS; RETROVIRUS WAYNE HUGHES INSTITUTE 2001-01-30 US disclosed
EP-1064263-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION Parker Hughes Institute (US) 2001-01-03 EP disclosed
US-6156759-A Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and method for use thereof PARKER HUGHES INSTITUTE (US) 2000-12-05 US disclosed
US-6124307-A INHIBIT REPLICATION OF RETROVIRUS, SUCH AS HUMAN IMMUNODEFICIENCY VIRUS-1 WAYNE HUGHES INSTITUTE (US) 2000-09-26 US disclosed
US-5998411-A VIRICIDES HUGHES INSTITUTE (US) 1999-12-07 US disclosed
WO-1999047501-A2 NONNUCLEOSIDE INHIBITORS OF REVERSE TRANSCRIPTASE FOR THE TREATMENT OF HIV-INFECTION PARKER HUGHES INSTITUTE (US) 1999-09-23 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 (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 LTC4S 3270/4885ALDH1A1 2901/4885TSHR 1394/4885
US-20010039276-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP LTC4S 3270/4885ALDH1A1 2901/4885TSHR 1394/4885
US-20050153995-A1 Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and methods for use thereof DNTT, NUDT1, NAPRT LTC4S 1632/4885ALDH1A1 2019/4885TSHR 3455/4885
US-20010003748-A1 Phenethyl-thiourea compounds and use TPMT, PNMT, PNP LTC4S 3270/4885ALDH1A1 2901/4885TSHR 1394/4885

“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.