SCHEMBL7535965

SCHEMBL7535965

Cc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.66
GAA P10253 4/20 0.66
SI P14410 4/20 0.66
MGAM2 Q2M2H8 4/20 0.66
PKM P14618 1/20 0.66
THRB P10828 1/20 0.51
KMO O15229 1/20 0.50
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47

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
SCHEMBL7535092 0.83 MGAM (0.63) MGAMGAASIMGAM2PKM
SCHEMBL10119707 0.81 MEN1 (0.55) MGAMGAASIMGAM2PKM
SCHEMBL633394 0.81 KMO (0.70) MGAMGAASIMGAM2PKM
SCHEMBL1036939 0.81 TSHR (0.63) GAAKMOTSHRACHEALDH1A1
SCHEMBL11524099 0.81 APP (0.59) MGAMGAASIMGAM2PKM
SCHEMBL10749428 0.79 MGAM (0.69) MGAMGAASIMGAM2PKM
SCHEMBL367666 0.79 GAA (1.00) MGAMGAASIMGAM2PKM
SCHEMBL967793 0.79 MGAM (0.69) MGAMGAASIMGAM2PKM
SCHEMBL16516070 0.79 MGAM (0.64) MGAMGAASIMGAM2PKM
SCHEMBL6153808 0.78 ROCK2 (0.62) MGAMGAASIMGAM2PKM

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 MGAM 903/4885GAA 2975/4885SI 4593/4885
US-20020002193-A1 Thiadiazole antifungal agents ERG28, NAT1, AADAC MGAM 1375/4885GAA 1147/4885SI 3979/4885
US-20010000512-A1 Novel class of piperazino substituted thiazoles ERG28, DPM1, NAT1 MGAM 1692/4885GAA 1481/4885SI 4352/4885
US-20010000178-A1 PYRIDYL SUBSTITUTED THIAZOLES PDXK, OXA1L, ERG28 MGAM 1275/4885GAA 1705/4885SI 4056/4885

“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.