SCHEMBL2487574

SCHEMBL2487574

COC(=O)C(Nc1ccccc1)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.40
CNR2 P34972 1/20 0.40
HIF1A Q16665 1/20 0.39
TEAD4 Q15561 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
CES2 O00748 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
SCHEMBL13241025 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTPKMTDP1
SCHEMBL28089884 0.87 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPKMTDP1
SCHEMBL12497078 0.85 PTGS2 (0.47) KDM4EPKMKMT2AMEN1LMNA
SCHEMBL2482538 0.83 GAA (0.45) ALDH1A1KDM4EMAPTPKMTDP1
Hydrochloric Acid SCHEMBL2485774 0.82 GAA (0.44) ALDH1A1KDM4EMAPTPKMTDP1
SCHEMBL2486872 0.78 KMT2A (0.58) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL2483405 0.78 KMT2A (0.58) ALDH1A1KDM4EMAPTTDP1KMT2A
Hydrochloric Acid SCHEMBL2486670 0.77 KMT2A (0.56) ALDH1A1KDM4EMAPTTDP1KMT2A
SCHEMBL30059683 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL1274762 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376489-B1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMA SPA (IT) 2015-04-22 EP disclosed
US-8835682-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-09-16 US disclosed
US-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2013-08-01 US disclosed
US-8455646-B2 Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-06-04 US disclosed
EP-2376489-A1 Alkaloid aminoester derivatives and medicinal composition thereof Chiesi Farmaceutici S.p.A. (IT) 2011-10-19 EP disclosed
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-08 US disclosed
WO-2010072338-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2010-07-01 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 (2 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-20130196978-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG ALDH1A1 2693/4885KDM4E 2226/4885MAPT 1455/4885
US-20100173880-A1 ALKALOID AMINOESTER DERIVATIVES AND MEDICINAL COMPOSITION THEREOF CHRM3, CHRM1, CHRNG ALDH1A1 2693/4885KDM4E 2226/4885MAPT 1455/4885

“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.