SCHEMBL6359014

SCHEMBL6359014

CO/N=[C]/c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
CA4 P22748 2/20 0.36
TSHR P16473 2/20 0.36
HTR2A P28223 1/20 0.33
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTR1B P28222 2/20 0.31
KCNH2 Q12809 1/20 0.31
HTR1D P28221 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4191846 1.00 APP (0.39) APPCA4TSHRHTR2AGRM5
SCHEMBL5415934 1.00 APP (0.39) APPCA4TSHRHTR2AGRM5
SCHEMBL14480036 0.78 ALDH1A1 (0.42) GRM5NPC1RAB9ACA12CA1
SCHEMBL14480035 0.78 ALDH1A1 (0.42) GRM5NPC1RAB9ACA12CA1
SCHEMBL17217098 0.78 ALDH1A1 (0.42) GRM5NPC1RAB9ACA12CA1
SCHEMBL14480042 0.76 LMNA (0.36) GRM5KCNH2LMNA
SCHEMBL17219426 0.76 CA1 (0.50) APPCA4NPC1RAB9ACA12
SCHEMBL14480022 0.76 LMNA (0.36) GRM5KCNH2LMNA
SCHEMBL14480013 0.76 ACHE (0.35) GRM5KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL14480031 0.76 GSK3B (0.37) RAB9AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

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 APP 4795/4885CA4 2262/4885TSHR 4099/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 APP 4786/4885CA4 1947/4885TSHR 3901/4885

“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.