SCHEMBL4036613

SCHEMBL4036613

Cc1ccc(-n2c(C(=O)O)cnc2S)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL14248834 0.84 TDP1 (0.48) NOTUMALDH1A1KDM4ETDP1HPGD
SCHEMBL4035995 0.81 IDO1 (0.49) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL4036284 0.80 SMN1; SMN2 (0.36) NOTUMALDH1A1KDM4ETDP1MAPT
SCHEMBL8279471 0.80 CYP2C19 (0.33) NOTUMALDH1A1MAPTHPGDPOLB
SCHEMBL4036279 0.77 SMN1; SMN2 (0.37) ALDH1A1KDM4EMAPTHPGDMEN1
SCHEMBL8280432 0.76 CNR1 (0.48) ALDH1A1MAPTMEN1KMT2ARECQL
SCHEMBL4032826 0.72 ALDH1A1 (0.36) NOTUMALDH1A1KDM4ETDP1MAPT
SCHEMBL16040506 0.71 ALDH1A1 (0.45) NOTUMALDH1A1MAPTMEN1KMT2A
SCHEMBL14249281 0.70 POLB (0.47) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL13982981 0.70 L3MBTL1 (0.38) ALDH1A1KDM4ETDP1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722785-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2009-07-08 EP disclosed
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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
EP-1722785-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 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 NOTUM 3731/4885ALDH1A1 3706/4885KDM4E 3120/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 NOTUM 3731/4885ALDH1A1 3706/4885KDM4E 3120/4885

“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.