SCHEMBL13201378

SCHEMBL13201378

CNC(=S)Nc1ccc(I)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.64
MAPT P10636 5/20 0.60
GAA P10253 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
ALDH1A1 P00352 7/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
LMNA P02545 2/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
CYP3A4 P08684 1/20 0.47
KDM4E B2RXH2 2/20 0.46
THRB P10828 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
QPCT Q16769 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
SCHEMBL1747930 0.81 KMT2A (0.66) IDO1MAPTGAASMN1; SMN2CYP1A2
SCHEMBL13693551 0.80 MAPT (0.62) MAPTGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2590098 0.80 CYP1A2 (0.64) MAPTGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5078028 0.80 ALDH1A1 (0.74) IDO1MAPTGAASMN1; SMN2CYP1A2
SCHEMBL11550071 0.80 MAPT (0.67) MAPTGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6302055 0.78 GAA (0.64) IDO1MAPTGAASMN1; SMN2CYP1A2
SCHEMBL11277333 0.78 MAPT (0.64) MAPTGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5435931 0.78 IDO1 (1.00) IDO1MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL23812525 0.77 GAA (0.84) MAPTGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL1276402 0.77 GAA (0.84) MAPTGAASMN1; SMN2CYP1A2CYP2C19

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-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 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 (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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 IDO1 1233/4885MAPT 622/4885GAA 50/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 IDO1 1233/4885MAPT 622/4885GAA 50/4885

“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.