SCHEMBL46947

SCHEMBL46947

O=C(O)Cc1cn(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
QPCT Q16769 1/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL27340963 0.76 CYP2C9 (0.50) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL6949279 0.76 GABRA5 (0.35) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL876467 0.76 CYP2C9 (0.50) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL6949283 0.76 GABRA5 (0.39) GABRA5GABRB2HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1373085 0.74 TDP1 (0.52) GABRA5GABRB2HSD17B10KDM4EALDH1A1
SCHEMBL1441194 0.73 CPB2 (0.50) KDM4EALDH1A1POLBTDP1L3MBTL1
Water SCHEMBL3639234 0.72 CYP1A2 (0.43) HSD17B10KDM4EALDH1A1POLBTDP1
SCHEMBL27803103 0.72 ALDH1A1 (0.36) GABRA5GABRB2HSD17B10KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8762068 0.71 KDM4C (0.50) GAACYP2C19AKR1B1
SCHEMBL27803087 0.71 CPB2 (0.53) KDM4EALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 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 (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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 GABRA5 3498/4885GABRB2 2753/4885HSD17B10 1626/4885

“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.