SCHEMBL6312875

SCHEMBL6312875

CCCc1nn(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
KDM4E B2RXH2 5/20 0.49
ADORA2A P29274 4/20 0.49
PKM P14618 2/20 0.49
LMNA P02545 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
KAT2B Q92831 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
PPARG P37231 3/20 0.45
PPARA Q07869 2/20 0.45
MAOB P27338 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
SCHEMBL6312839 0.89 ALDH1A1 (0.64) ALDH1A1HPGDTSHRKDM4EADORA2A
Hydrochloric Acid SCHEMBL6313689 0.81 KDM4E (0.47) ALDH1A1HPGDTSHRKDM4EADORA2A
SCHEMBL594751 0.80 ALDH1A1 (0.57) ALDH1A1HPGDTSHRKDM4EADORA2A
SCHEMBL6320885 0.79 HPGD (0.81) ALDH1A1HPGDTSHRKDM4EADORA2A
Hydrochloric Acid SCHEMBL6313684 0.79 SMN1; SMN2 (0.46) ALDH1A1HPGDKDM4EADORA2APKM
SCHEMBL12509518 0.77 KDM4E (0.47) ALDH1A1HPGDTSHRKDM4EADORA2A
SCHEMBL316035 0.75 KDM4E (0.75) ALDH1A1HPGDTSHRKDM4EADORA2A
SCHEMBL28728717 0.74 NPC1 (0.58) ALDH1A1HPGDTSHRKDM4EADORA2A
Hydrochloric Acid SCHEMBL19118816 0.73 KDM4E (0.73) ALDH1A1HPGDTSHRKDM4EADORA2A
SCHEMBL19293621 0.73 SMN1; SMN2 (0.62) ALDH1A1HPGDTSHRKDM4EADORA2A

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 642/4885HPGD 33/4885TSHR 2528/4885

“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.