SCHEMBL6450032

SCHEMBL6450032

CCCCCc1nc(N)ns1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TLR8 Q9NR97 7/20 0.40
TLR7 Q9NYK1 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
DHFR P00374 1/20 0.37
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
PDPK1 O15530 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL11788600 0.76 ALDH1A1 (0.39) ALDH1A1KCNH2KDM4ECYP2C9TP53
SCHEMBL20320680 0.71 ALDH1A1 (0.37) ALDH1A1TLR8TLR7SMN1; SMN2CYP2C9
SCHEMBL8581050 0.71 ALDH1A1 (0.39) ALDH1A1KDM4ECYP2C9MAPT
SCHEMBL3252265 0.70 NPSR1 (0.38) ALDH1A1SMN1; SMN2KDM4ERAB9APOLB
Hexane SCHEMBL28379586 0.67 CASP1 (0.48) TLR8TLR7DHFR
SCHEMBL468531 0.67 CYP2D6 (0.53) ALDH1A1TLR8TLR7DHFRKCNH2
SCHEMBL11335612 0.67 SMN1; SMN2 (0.53) ALDH1A1TLR8TLR7SMN1; SMN2DHFR
SCHEMBL28331464 0.67 ALDH1A1 (0.50) ALDH1A1TLR8TLR7SMN1; SMN2DHFR
SCHEMBL627048 0.67 ALDH1A1 (0.46) ALDH1A1TLR8TLR7DHFRKCNH2
SCHEMBL9798228 0.67 SMN1; SMN2 (0.53) ALDH1A1TLR8TLR7SMN1; SMN2DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165070-B1 THIADIAZOLYL UREA OR THIOUREA DERIVATIVES FOR ANTIVIRAL TREATMENT UAF TECHNOLOGIES AND RES LLC (US) 2005-06-15 EP disclosed
EP-1165074-B1 VIRAL TREATMENT UAF TECHNOLOGIES AND RES LLC (US) 2004-05-26 EP disclosed
US-6410575-B2 ADMINISTERING (5-ARYL-1,2,4-THIADIAZOL)-3-YL THIOUREA AND UREA DERIVATIVES TO TREAT HEPATITIS, HIV AND KAPOSI SARCOMA, AS VIRICIDES AND ANTICARCINOGENIC AGENTS THE PROCTER & GAMBLE COMPANY 2002-06-25 US disclosed
US-6384064-B2 HUMAN IMMUNODEFICIENCY SYNDRONE, HEPATITIS VIRUS THE PROCTER & GAMBLE COMPANY 2002-05-07 US disclosed
US-6340696-B1 ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF COMBINATION OF (5-ARYL-1,2,4-THIADIAZOL)-3-YL THIOUREA DERIVATIVE OR (5-ARYL-1,2,4-THIADIAZOL)-3-YL UREA DERIVATIVE AND RIBAVIRIN AND/OR INTERFERON THE PROCTER & GAMBLE COMPANY 2002-01-22 US disclosed
EP-1165070-A1 THIADIAZOLYL UREA OR THIOUREA DERIVATITIVES FOR ANTIVIRAL TREATMENT The Procter & Gamble Company (US) 2002-01-02 EP disclosed
EP-1165074-A2 VIRAL TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2002-01-02 EP disclosed
US-20010034358-A1 Viral treatment THE PROTECTOR & GAMBLE COMPANY 2001-10-25 US disclosed
US-20010031773-A1 Viral treatment THE PROCTER & GAMBLE COMPANY 2001-10-18 US disclosed
US-6258831-B1 THIOUREAS AND UREAS DERIVATIVES WITH 5-ARYL-1,2,4-TRIAZOLE THE PROCTER & GAMBLE COMPANY 2001-07-10 US disclosed
US-6245788-B1 USING 5-ARYL-1,2,4-TRIADAZOL-3-YL (THIO)UREA COMPOUND THE PROCTER & GAMBLE COMPANY 2001-06-12 US disclosed
WO-2000057869-A2 VIRAL TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2000-10-05 WO disclosed
WO-2000057878-A1 THIADIAZOLYL UREA OR THIOUREA DERIVATIVES FOR ANTIVIRAL TREATMENT THE PROCTER & GAMBLE COMPANY (US) 2000-10-05 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 (2 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-20010034358-A1 Viral treatment TPMT, NSUN2, XDH ALDH1A1 1300/4885TLR8 3472/4885TLR7 1307/4885
US-20010031773-A1 Viral treatment TK1, HK1, RPL5 ALDH1A1 901/4885TLR8 3307/4885TLR7 1772/4885

“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.