SCHEMBL7532002

SCHEMBL7532002

COc1ccc(-c2nc(-c3ccc(CO)cc3)cs2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.74
POLB P06746 3/20 0.74
MAPT P10636 3/20 0.74
ATM Q13315 1/20 0.74
ALDH1A1 P00352 5/20 0.67
RAB9A P51151 4/20 0.67
NPC1 O15118 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
CDC25A P30304 1/20 0.60
CDC25B P30305 1/20 0.60
CYP19A1 P11511 2/20 0.59
LTA4H P09960 1/20 0.59
CYP1A1 P04798 2/20 0.58
CYP1B1 Q16678 2/20 0.58
ATP4A P20648 2/20 0.57
ATP4B P51164 2/20 0.57
SREBF2 Q12772 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL1180215 0.89 MAPT (0.84) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL7533239 0.85 MAPT (0.69) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL2918474 0.85 MAPT (1.00) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL6693465 0.83 MAPT (0.75) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL28534175 0.83 KDM4E (0.75) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL4279334 0.83 KDM4E (0.75) KDM4EPOLBMAPTATMALDH1A1
Pyrrole SCHEMBL3654122 0.82 KDM4E (0.69) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL14157031 0.82 KDM4E (0.73) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL13458065 0.82 MAPT (0.73) KDM4EPOLBMAPTATMALDH1A1
SCHEMBL13394699 0.82 MAPT (0.73) KDM4EPOLBMAPTATMALDH1A1

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 KDM4E 4127/4885POLB 4175/4885MAPT 2330/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC KDM4E 3332/4885POLB 2997/4885MAPT 3331/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 KDM4E 3274/4885POLB 2629/4885MAPT 3540/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 KDM4E 3629/4885POLB 2741/4885MAPT 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.