SCHEMBL6834192

SCHEMBL6834192

N#Cc1ccc(NC(=O)c2cncc(C#Cc3cn[nH]c3)c2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.46
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.39
LRRK2 Q5S007 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
XDH P47989 1/20 0.38
GAK O14976 1/20 0.37
STK16 O75716 1/20 0.37
PIM1 P11309 1/20 0.37
AXL P30530 1/20 0.37
NEK2 P51955 1/20 0.37
STK3 Q13188 1/20 0.37
STK11 Q15831 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
TNIK Q9UKE5 1/20 0.37
F10 P00742 1/20 0.37
GRM5 P41594 2/20 0.37
CDK2 P24941 1/20 0.37

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
SCHEMBL6833871 0.86 MAPT (0.52) ALBALDH1A1MAPTKCNH2SCN10A
SCHEMBL6834213 0.82 ALB (0.48) ALBALDH1A1MAPTLRRK2KCNH2
SCHEMBL6833312 0.82 ALB (0.48) ALBALDH1A1MAPTLRRK2KCNH2
SCHEMBL6818035 0.81 ALB (0.46) ALBALDH1A1MAPTKCNH2SCN10A
SCHEMBL6833179 0.79 ALDH1A1 (0.66) ALBALDH1A1MAPTKMT2AMEN1
SCHEMBL6818495 0.78 ALB (0.45) ALBALDH1A1MAPTKCNH2SCN10A
SCHEMBL6821355 0.77 SERPINE1 (0.53) ALBALDH1A1GRM5KMT2AMEN1
SCHEMBL6833755 0.77 KCNH2 (0.55) ALBALDH1A1MAPTKCNH2SCN10A
SCHEMBL6834140 0.74 SCN10A (0.54) ALBKCNH2SCN10AXDHGAK
SCHEMBL6834158 0.74 XDH (0.54) ALBMAPTKCNH2SCN10AXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885ALDH1A1 170/4885MAPT 4759/4885

“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.