SCHEMBL6320799

SCHEMBL6320799

COC(=O)c1nn(-c2ccccc2)nc1C(=O)N(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
MAPT P10636 7/20 0.67
GAA P10253 1/20 0.49
ALDH1A1 P00352 8/20 0.47
HPGD P15428 5/20 0.47
TSHR P16473 1/20 0.47
ADORA2A P29274 4/20 0.47
LMNA P02545 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PKM P14618 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
KAT2B Q92831 1/20 0.47
TP53 P04637 2/20 0.46
HSD17B10 Q99714 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL6314250 0.89 KDM4E (0.81) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL6313819 0.84 KDM4E (0.74) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL6313530 0.84 ALDH1A1 (0.62) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL6312721 0.80 KDM4E (0.72) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL17595399 0.78 MAPT (0.68) KDM4EMAPTGAATP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6313769 0.76 KDM4E (0.47) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL17595331 0.75 KDM4E (0.65) KDM4EMAPTGAAALDH1A1HPGD
Hydrochloric Acid SCHEMBL6313777 0.75 KDM4E (0.49) KDM4EMAPTALDH1A1HPGDTSHR
SCHEMBL28728715 0.72 NPC1 (0.62) KDM4EMAPTGAAALDH1A1HPGD
SCHEMBL32674134 0.71 MAPT (0.59) KDM4EMAPTGAAALDH1A1HPGD

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 KDM4E 3920/4885MAPT 4418/4885GAA 794/4885

“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.