SCHEMBL6314818

SCHEMBL6314818

CCOC(=O)c1cnn(-c2ccccc2Br)c1C1CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
SLC9A1 P19634 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6313854 0.88 ALDH1A1 (0.50) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6313907 0.88 ALDH1A1 (0.50) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL31716931 0.87 LMNA (0.47) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6313244 0.86 MEN1 (0.56) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6314019 0.86 NPSR1 (0.49) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6318700 0.85 SMN1; SMN2 (0.56) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6313197 0.85 TP53 (0.48) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6319090 0.84 SLC9A1 (0.62) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6313040 0.84 TP53 (0.49) ALDH1A1TP53SMN1; SMN2LMNAMEN1
SCHEMBL6312965 0.84 TP53 (0.49) ALDH1A1TP53SMN1; SMN2LMNAMEN1

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-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 ALDH1A1 642/4885TP53 4706/4885SMN1; SMN2 3122/4885

“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.