SCHEMBL6504147

SCHEMBL6504147

Cc1cc(CC(N)=O)ncc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.47
HTT P42858 1/20 0.42
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34

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
SCHEMBL6500780 0.82 HTT (0.42) HTTGABRPGABRDGABRA1GABRB1
SCHEMBL15018003 0.81 ALDH1A1 (0.43) UHRF1HTTNNMTSMN1; SMN2
SCHEMBL21632976 0.80 SMN1; SMN2 (0.50) UHRF1HTTTSHRMAPK1SMN1; SMN2
SCHEMBL20772268 0.77 HTT (0.41) HTTGABRPGABRDGABRA1GABRB1
SCHEMBL14224045 0.77 UHRF1 (0.54) UHRF1GABRPGABRDGABRA1GABRB1
SCHEMBL23948608 0.76 UHRF1 (0.52) UHRF1GABRPGABRDGABRA1GABRB1
SCHEMBL21666114 0.74 UHRF1 (0.50) UHRF1GABRPGABRDGABRA1GABRB1
SCHEMBL31230433 0.74 UHRF1 (0.50) UHRF1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL30756158 0.72 HSD17B10 (0.45) HTTMAPTTDP1CYP3A4TSHR
SCHEMBL30595305 0.72 HTT (0.46) HTTTDP1CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 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 (1 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-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 UHRF1 2179/4885HTT 3729/4885GABRP 3695/4885

“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.