SCHEMBL2250340

SCHEMBL2250340

COC(=O)c1cccc(F)c1N(N)c1c(F)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 5/20 0.41
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SLC6A4 P31645 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL28137440 0.78 TSHR (0.47) ALDH1A1CFTRHSD17B10KMT2ASLC6A3
SCHEMBL29021740 0.76 CES2 (0.53) ALBALDH1A1CFTRHSD17B10KMT2A
SCHEMBL852026 0.74 ALB (0.52) ALBALDH1A1CFTRHSD17B10KMT2A
SCHEMBL1586012 0.74 KMT2A (0.47) ALBALDH1A1CFTRHSD17B10KMT2A
SCHEMBL29475660 0.74 ALB (0.55) ALBALDH1A1HSD17B10KMT2ATSHR
SCHEMBL2134625 0.74 KDM4E (0.52) ALBALDH1A1CFTRHSD17B10KMT2A
SCHEMBL222258 0.73 ALDH1A1 (0.56) ALDH1A1CFTRHSD17B10KMT2ASLC6A3
SCHEMBL1340852 0.72 CES2 (0.61) ALDH1A1CFTRHSD17B10KMT2ASLC6A3
SCHEMBL166441 0.72 KMT2A (0.61) ALDH1A1CFTRHSD17B10KMT2ALMNA
SCHEMBL513707 0.71 KMT2A (0.67) ALDH1A1CFTRHSD17B10KMT2ASLC6A3

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-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-08-25 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-20110207720-A1 QUINOLIN-4-ONE AND 4-OXODIHYRDOCINNOLINE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 ALB 4407/4885ALDH1A1 248/4885CFTR 2655/4885

“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.