SCHEMBL7539617

SCHEMBL7539617

COc1cccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 3/20 0.62
CYP19A1 P11511 1/20 0.59
MAPT P10636 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
SREBF2 Q12772 1/20 0.56
RAB9A P51151 2/20 0.55
RECQL P46063 1/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMO O15229 1/20 0.53
CSNK2A1 P68400 1/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
SCHEMBL6198481 0.86 KMO (0.64) EIF4EMAPTMEN1KMT2AMAOA
SCHEMBL1180783 0.86 CYP19A1 (0.76) EIF4ECYP19A1MAPTMEN1KMT2A
SCHEMBL7532579 0.81 HSD17B1 (0.72) EIF4ECYP19A1MAPTMEN1KMT2A
SCHEMBL19196240 0.81 CSNK2A1 (0.64) EIF4EMAPTMEN1KMT2AMAOA
SCHEMBL20557970 0.80 MAOB (0.60) MAPTMEN1KMT2AMAOBRAB9A
SCHEMBL30469306 0.80 MAOB (0.60) MAPTMEN1KMT2AMAOBRAB9A
SCHEMBL1181045 0.79 CYP19A1 (0.67) EIF4ECYP19A1MAPTMEN1KMT2A
SCHEMBL1180576 0.79 CYP19A1 (0.71) EIF4ECYP19A1MAPTMEN1KMT2A
SCHEMBL14150266 0.79 EIF4E (0.52) EIF4EMAPTMEN1KMT2AMAOA
SCHEMBL6804280 0.78 CYP19A1 (0.68) CYP19A1MAPTRAB9AALDH1A1NPC1

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-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-20020002193-A1 Thiadiazole antifungal agents YU DINGWEI TIM (US) 2002-01-03 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-20010000512-A1 Novel class of piperazino substituted thiazoles YU DINGWEI TIM (US) 2001-04-26 US disclosed
US-20010000177-A1 Novel class of thiomorpholino substituted thiazoles YU DINGWEI TIM (US) 2001-04-05 US disclosed
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES YU DINGWEI TIM (US) 2001-04-05 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 EIF4E 1756/4885CYP19A1 4012/4885MAPT 2330/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC EIF4E 2558/4885CYP19A1 2618/4885MAPT 3331/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 EIF4E 1717/4885CYP19A1 3522/4885MAPT 3540/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 EIF4E 2515/4885CYP19A1 3014/4885MAPT 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.