SCHEMBL8287013

SCHEMBL8287013

Cc1ccc(-n2c(S)nnc2C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP2C9 P11712 2/20 0.37
ALPG P10696 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2A6 P11509 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSP90AA1 P07900 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL13703856 0.76 KDM4E (0.47) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL28316282 0.76 KDM4E (0.38) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL29045993 0.73 KDM4E (0.44) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL4032826 0.71 ALDH1A1 (0.36) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL11996348 0.70 L3MBTL1 (0.42) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL11996161 0.69 KDM4E (0.41) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL11277462 0.68 AVPR1A (0.51) KDM4ETSHRALDH1A1MEN1KMT2A
SCHEMBL27567953 0.68 KDM4E (0.40) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL20869675 0.68 HSD17B10 (0.58) KDM4EALOX15TSHRL3MBTL1ALDH1A1
SCHEMBL14345465 0.67 ALDH1A1 (0.48) KDM4EALOX15TSHRL3MBTL1ALDH1A1

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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 KDM4E 3120/4885ALOX15 1461/4885TSHR 3429/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G KDM4E 3205/4885ALOX15 1576/4885TSHR 3654/4885

“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.