SCHEMBL3147589

SCHEMBL3147589

[CH2]COCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
MAOB P27338 2/20 0.55
MAOA P21397 1/20 0.55
LMNA P02545 1/20 0.52
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
F2 P00734 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 1/20 0.45

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
SCHEMBL1767329 0.90 TSHR (0.65) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL7861196 0.85 TSHR (0.59) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL18714233 0.83 TSHR (0.57) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL28381738 0.83 TSHR (0.57) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL11503161 0.83 TSHR (0.67) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL3721964 0.83 TSHR (0.57) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL4798585 0.83 TSHR (0.61) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL823906 0.83 TSHR (0.53) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL791926 0.81 TSHR (0.62) TSHRMAOBMAOALMNAALDH1A1
SCHEMBL7207567 0.81 TSHR (0.62) TSHRMAOBMAOALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-01 US disclosed
CN-101516878-A Thiadiazole compound and use thereof SUMITOMO CHEMICAL CO (JP) 2009-08-26 CN disclosed
EP-2061789-A2 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP disclosed
WO-2008032858-A2 THIADIAZOLE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-20 WO 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 (1 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-20100081693-A1 THIADIAZOLE COMPOUND AND USE THEREOF NR2C2, NR4A3, NR0B2 TSHR 65/4885MAOB 1907/4885MAOA 2675/4885

“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.