SCHEMBL7224530

SCHEMBL7224530

S=C(NCCc1ccc(Br)cc1)Nc1ccc(Br)cn1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.87
ALDH1A1 P00352 5/20 0.85
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
PKM P14618 1/20 0.60
MAPT P10636 3/20 0.56
ALOX12 P18054 2/20 0.55
MEN1 O00255 2/20 0.49
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPC1 O15118 1/20 0.46
GBA1 P04062 1/20 0.46
SSTR4 P31391 1/20 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
SCHEMBL6847403 0.93 LTC4S (1.00) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL7220245 0.92 LTC4S (0.79) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5888407 0.92 LTC4S (0.79) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5888522 0.92 LTC4S (0.79) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL7624466 0.92 ALDH1A1 (1.00) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL29355043 0.92 ALDH1A1 (1.00) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL6231736 0.89 LTC4S (0.74) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL13996738 0.84 ALDH1A1 (0.77) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL13885949 0.84 ALDH1A1 (0.68) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL5888383 0.82 ALDH1A1 (0.74) LTC4SALDH1A1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768824-B Elastomer composition with carbon nanostructure filler 超越莲花有限责任公司 2024-08-13 CN disclosed
CN-115768824-A Elastomer composition with carbon nanostructure filler 超越莲花有限责任公司 2023-03-07 CN 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

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.