SCHEMBL3945341

SCHEMBL3945341

CNC(=O)c1cccc(F)c1.OBO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC8 Q9BY41 1/20 0.58
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
KCNK3 O14649 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KCNK9 Q9NPC2 1/20 0.53
KDM4E B2RXH2 1/20 0.53
PARP1 P09874 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL1507076 0.94 HDAC6 (0.69) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL29584617 0.94 HDAC6 (0.69) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL5909363 0.80 HDAC8 (0.83) HDAC6HDAC8MEN1KMT2AALDH1A1
SCHEMBL30147517 0.80 NPC1 (0.60) HDAC6HDAC1HDAC8NPC1RAB9A
SCHEMBL30147643 0.78 HDAC6 (0.49) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL29379935 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL28885353 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL30986828 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC8CES2CES1
SCHEMBL15268423 0.77 CES2 (0.63) HDAC6HDAC1CES2CES1MEN1
SCHEMBL8762392 0.77 LMNA (0.65) HDAC6HDAC1CES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2018859-A1 Arylmethylene substituted N-acyl-beta-amino alcohols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-28 EP 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 (3 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-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HDAC6 1233/4885HDAC1 1897/4885HDAC8 2278/4885
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT HDAC6 1283/4885HDAC1 1130/4885HDAC8 2309/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 HDAC6 2262/4885HDAC1 1270/4885HDAC8 1977/4885

“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.