SCHEMBL3028873

SCHEMBL3028873

CCC([S])c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.50
PARP14 Q460N5 5/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL5596637 0.83 KIF11 (0.53) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL28155368 0.82 KIF11 (0.51) KIF11PARP14GABRPGABRDGABRA1
Hydrochloric Acid SCHEMBL8935715 0.79 KIF11 (0.49) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL1725487 0.78 KIF11 (0.58) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL24309329 0.77 KIF11 (0.46) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL10662808 0.77 KIF11 (0.57) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL27490188 0.76 KIF11 (0.49) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL6601304 0.76 PARP14 (0.46) KIF11PARP14ALDH1A1MAPTKDM4E
SCHEMBL5150446 0.75 KIF11 (0.55) KIF11PARP14GABRPGABRDGABRA1
SCHEMBL14472200 0.75 KIF11 (0.47) KIF11PARP14GABRPGABRDGABRA1

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
EP-1745002-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2010-11-03 EP disclosed
US-20100210653-A1 Novel Compounds, Their Preparations and Use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-19 US disclosed
US-20080114036-A1 Novel Compounds, Their Preparations And Use NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
EP-1745002-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105725-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 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-20100210653-A1 Novel Compounds, Their Preparations and Use PPARG, PPARD, PPARA KIF11 3689/4885PARP14 3455/4885GABRP 110/4885
US-20080114036-A1 Novel Compounds, Their Preparations And Use PPARG, PPARD, GPR119 KIF11 3563/4885PARP14 4295/4885GABRP 641/4885

“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.