SCHEMBL7538901

SCHEMBL7538901

COc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)cs2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
EIF4E P06730 6/20 0.47
MAPT P10636 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
LMNA P02545 2/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 1/20 0.45
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HTT P42858 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
SCHEMBL7677236 0.88 SMN1; SMN2 (0.51) THRBEIF4EMAPTRAB9ASMN1; SMN2
SCHEMBL7788713 0.88 THRB (0.44) THRBEIF4EMAPTRAB9ASMN1; SMN2
SCHEMBL7671545 0.84 MEN1 (0.55) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7671981 0.81 MAPT (0.62) EIF4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL7672520 0.80 EIF4E (0.52) EIF4EMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4512978 0.77 SMN1; SMN2 (0.67) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL6199409 0.76 ALDH1A1 (0.57) THRBEIF4EMAPTRAB9ASMN1; SMN2
SCHEMBL6199744 0.75 EIF4E (0.55) THRBEIF4EMAPTRAB9ASMN1; SMN2
SCHEMBL31084656 0.75 MAPT (0.72) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL3134094 0.75 MAPT (0.72) MAPTRAB9ASMN1; SMN2NPC1LMNA

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 9 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
US-6156776-A Diaryl substituted thiazoles useful in the treatment of fungal infections YU DINGWEI TIM (US) 2000-12-05 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 THRB 1084/4885EIF4E 1756/4885MAPT 2330/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC THRB 2712/4885EIF4E 2558/4885MAPT 3331/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 THRB 2526/4885EIF4E 1717/4885MAPT 3540/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 THRB 2800/4885EIF4E 2515/4885MAPT 3082/4885

“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.