SCHEMBL13096709

SCHEMBL13096709

Cc1c(C=CCCCOc2ccc(F)cc2F)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
DHODH Q02127 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.35
GRM2 Q14416 1/20 0.35
NMT2 O60551 1/20 0.35
NMT1 P30419 1/20 0.35
PDE10A Q9Y233 2/20 0.34
ERN1 O75460 1/20 0.34
BCHE P06276 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL13096702 0.94 SMN1; SMN2 (0.42) EGFRDHODHSMN1; SMN2PKMTRPA1
SCHEMBL13096703 0.88 SMN1; SMN2 (0.37) EGFRDHODHSMN1; SMN2PKMTRPA1
SCHEMBL13106221 0.84 SMN1; SMN2 (0.43) EGFRSMN1; SMN2PKMTRPA1HTT
SCHEMBL13106222 0.83 SMN1; SMN2 (0.36) DHODHSMN1; SMN2PKMTRPA1LMNA
SCHEMBL3092175 0.81 ALDH1A1 (0.43) EGFRSMN1; SMN2PKMLMNAPOLB
SCHEMBL3092171 0.81 ALDH1A1 (0.43) EGFRSMN1; SMN2PKMLMNAPOLB
SCHEMBL13096699 0.80 EGFR (0.47) EGFRSMN1; SMN2POLBMAPTSTAT3
SCHEMBL13096595 0.79 DHODH (0.46) DHODHSMN1; SMN2LMNAPOLBMAPT
SCHEMBL13107217 0.76 TRPA1 (0.36) SMN1; SMN2PKMTRPA1LMNAPOLB
SCHEMBL13096834 0.73 L3MBTL1 (0.38) EGFRSMN1; SMN2MAPTSTAT3HTT

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK EGFR 4831/4885DHODH 294/4885SMN1; SMN2 4848/4885

“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.