SCHEMBL7869953

SCHEMBL7869953

O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CCCN(CC(=O)O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
BLM P54132 2/20 0.78
PMP22 Q01453 2/20 0.78
KDM4E B2RXH2 2/20 0.78
ALOX15 P16050 2/20 0.78
TSHR P16473 2/20 0.78
LMNA P02545 2/20 0.78
CHRM2 P08172 1/20 0.78
ADRA2A P08913 1/20 0.78
DRD1 P21728 1/20 0.78
SLC6A2 P23975 1/20 0.78
SLC6A4 P31645 1/20 0.78
CYP2C19 P33261 1/20 0.78
ADRA1A P35348 1/20 0.78
DRD3 P35462 1/20 0.78
SLC6A3 Q01959 1/20 0.78
HRH3 Q9Y5N1 1/20 0.78
EYA2 O00167 1/20 0.72
APP P05067 1/20 0.72
ACE P12821 1/20 0.72

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
SCHEMBL5557442 0.97 TDP1 (0.83) TDP1BLMPMP22KDM4EALOX15
SCHEMBL7872108 0.97 TDP1 (0.74) TDP1BLMPMP22KDM4EALOX15
SCHEMBL133510 0.97 TDP1 (0.77) TDP1BLMPMP22KDM4EALOX15
Ammonia Solution, Strong SCHEMBL9153466 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
SCHEMBL5495960 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
SCHEMBL31156529 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
Potassium SCHEMBL31156528 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
Water SCHEMBL8747206 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
Ammonia Solution, Strong SCHEMBL9133460 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15
SCHEMBL9810938 0.94 TDP1 (0.72) TDP1BLMPMP22KDM4EALOX15

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-20200390104-A1 ANTIMICROBIAL GALLIUM COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-17 US disclosed
WO-2019165425-A1 ANTIMICROBIAL GALLIUM COMPOUNDS AND METHODS THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2019-08-29 WO disclosed
US-6303761-B1 CAN BE USED AS A CONTRAST AGENT FOR MAGNETIC RESONANCE IMAGING; CONTAINING ETHER OR SULFIDE LINKAGES DEPARTMENT OF HEALTH THE EXECUTIVE YUAN, REPUBLIC OF CHINA (TW) 2001-10-16 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-20200390104-A1 ANTIMICROBIAL GALLIUM COMPOUNDS AND METHODS GSDMD, GLMN, GDA TDP1 2322/4885BLM 2831/4885PMP22 4859/4885

“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.