SCHEMBL6920683

SCHEMBL6920683

N#Cc1ccc(NC(=O)c2ncc(-c3ccccc3C(F)(F)F)o2)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
ALB P02768 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39

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
SCHEMBL6834206 0.86 KCNK2 (0.44) DHODHALDH1A1LMNAPOLBGAA
SCHEMBL6834034 0.84 TUBB4A (0.55) ALBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6833246 0.83 HDAC1 (0.47) ALDH1A1POLBGAAALBKMT2A
SCHEMBL6818899 0.83 KMT2A (0.57) ALDH1A1LMNAALBKMT2AMEN1
SCHEMBL6834193 0.81 TUBB4A (0.47) ALBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6833423 0.81 FAAH (0.52) ALBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6819024 0.80 KMO (0.43) DHODHALBKMT2AMEN1NPC1
SCHEMBL6830630 0.80 TUBB4A (0.44) ALDH1A1ALBTUBB4ATUBBTUBA3C
SCHEMBL6818185 0.80 HTT (0.45) ALDH1A1POLBGAAALBKMT2A
SCHEMBL6834009 0.79 CTSA (0.47) DHODHALDH1A1ALBKMT2ARXFP1

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 2 patents. 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
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 (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 DHODH 166/4885ALDH1A1 170/4885LMNA 3376/4885

“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.