SCHEMBL533874

SCHEMBL533874

NNC(=NC1CC1)c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
TSHR P16473 2/20 0.40
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
ATM Q13315 1/20 0.36
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
JAK2 O60674 1/20 0.34
PAK1 Q13153 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33

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
SCHEMBL4384455 0.67 TAS1R3 (0.60) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL22862588 0.66 CES2 (0.42) P2RX7TSHRALDH1A1RAB9A
SCHEMBL534385 0.62 P2RX7 (1.00) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL10620612 0.62 TSHR (0.43) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL102709 0.61 TSHR (0.50) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL102710 0.61 TSHR (0.50) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL17737959 0.61 TSHR (0.50) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL28583422 0.61 P2RX7 (0.97) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL8443704 0.61 ERCC5 (0.61) P2RX7TSHRTAS1R3TAS1R1TAS1R2
SCHEMBL2130360 0.61 TSHR (0.60) P2RX7TSHRTAS1R3TAS1R1TAS1R2

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
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 P2RX7 1307/4885TSHR 3174/4885TAS1R3 3979/4885

“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.