SCHEMBL7535129

SCHEMBL7535129

C=CCN(C)Cc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.47
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
MAPT P10636 9/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 5/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
CXCR3 P49682 1/20 0.42

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
SCHEMBL7678096 0.90 MAPT (0.54) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL7672520 0.87 EIF4E (0.52) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7677284 0.86 MAPT (0.51) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7677249 0.84 MAPT (0.48) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7675752 0.84 MEN1 (0.49) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7671507 0.82 EIF4E (0.48) EIF4E
SCHEMBL7788713 0.82 THRB (0.44) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7676395 0.81 MAPT (0.54) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7669303 0.81 EIF4E (0.50) EIF4EMAOAMAOBMAPTMEN1
SCHEMBL7669493 0.78 RAB9A (0.53) MAPTMEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020002193-A1 Thiadiazole antifungal agents YU DINGWEI TIM (US) 2002-01-03 US claimed
US-20010000512-A1 Novel class of piperazino substituted thiazoles YU DINGWEI TIM (US) 2001-04-26 US claimed
US-20010000177-A1 Novel class of thiomorpholino substituted thiazoles YU DINGWEI TIM (US) 2001-04-05 US claimed
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES YU DINGWEI TIM (US) 2001-04-05 US claimed
US-6156776-A Diaryl substituted thiazoles useful in the treatment of fungal infections YU DINGWEI TIM (US) 2000-12-05 US claimed
US-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-6281217-B2 ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. YU DINGWEI TIM (US) 2001-08-28 US disclosed
US-6277873-B1 CONTROLLING DRUG RESISTANT FUNGI YU DINGWEI TIM (US) 2001-08-21 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-20010000177-A1 Novel class of thiomorpholino substituted thiazoles THUMPD1, ERG28, THOC2 EIF4E 1756/4885MAOA 3456/4885MAOB 3325/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC EIF4E 2558/4885MAOA 2459/4885MAOB 2114/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 EIF4E 1717/4885MAOA 3875/4885MAOB 3416/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 EIF4E 2515/4885MAOA 2950/4885MAOB 2454/4885

“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.