SCHEMBL6352002

SCHEMBL6352002

N#Cc1ccc(N)c(C(=O)OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 5/20 0.49
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
GLA P06280 1/20 0.46
HIF1A Q16665 1/20 0.46
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL8293785 0.85 MAPT (0.44) ALDH1A1RAB9ATDP1TSHRNPC1
SCHEMBL25560285 0.84 ALDH1A1 (0.50) ALDH1A1RAB9ATDP1KMT2ASLC6A2
SCHEMBL551104 0.83 MRGPRX4 (0.52) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL27972971 0.81 ALDH1A1 (0.50) ALDH1A1TDP1KMT2ASLC6A2SLC6A3
SCHEMBL14645989 0.81 ALDH1A1 (0.47) ALDH1A1RAB9ATDP1KMT2ASLC6A2
SCHEMBL9930926 0.81 MRGPRX4 (0.50) ALDH1A1RAB9ATDP1KMT2ASLC6A2
SCHEMBL23812446 0.80 TDP1 (0.60) ALDH1A1RAB9ATDP1KMT2ASLC6A2
SCHEMBL15639611 0.80 ALDH1A1 (0.55) ALDH1A1KMT2AL3MBTL1CYP3A4TSHR
SCHEMBL4771212 0.80 ALDH1A1 (0.60) ALDH1A1RAB9ATDP1KMT2ASLC6A2
SCHEMBL1015771 0.79 ALDH1A1 (0.55) ALDH1A1RAB9ATDP1KMT2ASLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 (2 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 ALDH1A1 462/4885RAB9A 3062/4885TDP1 2766/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALDH1A1 170/4885RAB9A 4337/4885TDP1 2738/4885

“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.