SCHEMBL6314587

SCHEMBL6314587

CCOC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.50
CNR1 P21554 3/20 0.47
CNR2 P34972 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
GABRA2 P47869 4/20 0.46
GABRB2 P47870 4/20 0.46

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
SCHEMBL6314266 0.91 KMT2A (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6312152 0.87 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6312981 0.87 MEN1 (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6313187 0.87 POLB (0.52) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6313244 0.87 MEN1 (0.56) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6314912 0.85 ALDH1A1 (0.50) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6319809 0.84 TP53 (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL6313288 0.84 POLB (0.46) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL8345290 0.84 ALDH1A1 (0.74) KMT2ASMN1; SMN2MEN1ALDH1A1LMNA
SCHEMBL10678549 0.83 HTT (0.55) KMT2ASMN1; SMN2MEN1ALDH1A1HTT

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 KMT2A 3222/4885SMN1; SMN2 3122/4885MEN1 4475/4885

“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.