SCHEMBL6961479

SCHEMBL6961479

Cn1cc(C(=O)O)c(=O)c2c3ccc(F)c(F)c3ncc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
CHRM1 P11229 4/20 0.35
STAT3 P40763 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
MAP2K1 Q02750 2/20 0.33
MEN1 O00255 2/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
DHODH Q02127 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
MAP2K2 P36507 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ABCC4 O15439 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL7226206 0.85 HTT (0.45) ALDH1A1HTTSTAT3KMT2ALMNA
SCHEMBL7219802 0.84 ALDH1A1 (0.41) ALDH1A1HTTKMT2ALMNAMEN1
SCHEMBL7226586 0.84 HPGD (0.39) ALDH1A1CHRM1KMT2ALMNAMEN1
SCHEMBL7221681 0.83 HPGD (0.38) ALDH1A1CHRM1KMT2ALMNAMEN1
SCHEMBL7220757 0.83 ALDH1A1 (0.41) ALDH1A1HTTKMT2ALMNAMEN1
SCHEMBL6958940 0.83 KMT2A (0.37) ALDH1A1HTTCHRM1STAT3KMT2A
SCHEMBL7227944 0.82 RPS6KB1 (0.44) ALDH1A1HTTKMT2ALMNAMEN1
SCHEMBL7226972 0.81 LMNA (0.35) ALDH1A1HTTKMT2ALMNAMEN1
SCHEMBL7220143 0.81 ALDH1A1 (0.35) ALDH1A1CHRM1KMT2ALMNAMEN1
SCHEMBL7220276 0.80 LMNA (0.46) ALDH1A1KMT2ALMNAMEN1NPC1

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
EP-1189903-B1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-28 EP disclosed
US-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them AVENTIS PHARMA S.A. (FR) 2002-09-26 US disclosed
EP-1189903-A1 NOVEL BENZO F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 2002-03-27 EP disclosed
WO-2001002396-A1 NOVEL BENZO[F]NAPHTHYRIDINE, PREPARATION AND COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2001-01-11 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-20020137741-A1 Benzo[f]naphthyridine derivatives, their preparation and compositions containing them KCNQ2, KCNQ1, KCNQ4 ALDH1A1 719/4885HTT 2444/4885CHRM1 681/4885

“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.