SCHEMBL2825520

SCHEMBL2825520

Cc1cc(-c2ccccc2)nn1Cc1ccc(CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
NCOR2 Q9Y618 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
STAT3 P40763 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 2/20 0.52
CYP1A2 P05177 1/20 0.50

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
SCHEMBL28109720 0.89 SMN1; SMN2 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3631457 0.85 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AMAPTSTAT3
SCHEMBL3507071 0.81 SMN1; SMN2 (0.46) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28110182 0.81 SMN1; SMN2 (0.61) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28109719 0.79 HDAC3 (0.64) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4889199 0.78 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AMAPTLMNAPOLB
SCHEMBL2828428 0.78 HDAC3 (0.52) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL26307648 0.77 MEN1 (0.62) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14924173 0.76 GRN (0.49) MEN1KMT2ALMNAPOLBGAA
SCHEMBL5292301 0.76 AURKA (0.48) SMN1; SMN2MEN1KMT2AMAPTSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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 (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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 SMN1; SMN2 2362/4885HDAC3 1558/4885HDAC4 1391/4885

“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.