SCHEMBL2497572

SCHEMBL2497572

O=[N+]([O-])c1cccc(C[S])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 5/20 0.52
TDP1 Q9NUW8 2/20 0.52
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PYCR1 P32322 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL132215 0.84 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL10918542 0.83 TSHR (0.71) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL94845 0.82 TSHR (0.69) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL8713184 0.82 TSHR (0.69) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL132216 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL356063 0.80 TSHR (1.00) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL228816 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL189560 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL43922 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9
SCHEMBL2677183 0.80 TSHR (0.67) TSHRLMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2009-02-12 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-2006288-A1 AMINOPYRIDINE DERIVATIVE AND PLANT DISEASE CONTROL AGENT FOR AGRICULTURAL OR HORTICULTURAL USE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2008-12-24 EP disclosed
EP-0549344-A1 Triazine derivatives as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP 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 (2 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-20090042917-A1 Aminopyrimidine Derivative and Plant Disease Control Agent for Agricultural or Horticultural Use DPYD, PM20D2, PDCD11 TSHR 3904/4885LMNA 4597/4885CYP1A2 1823/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 TSHR 140/4885LMNA 3349/4885CYP1A2 804/4885

“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.