SCHEMBL1567087

SCHEMBL1567087

[O]C(=O)NCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.41
PPIA P62937 1/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
EPHX2 P34913 1/20 0.39

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
SCHEMBL29579635 0.85 HTR2A (0.45) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL88302 0.85 HTR2A (0.45) HTR2AHDAC3HDAC4HDAC7HDAC8
Ammonia Solution, Strong SCHEMBL28099493 0.83 HTR2A (0.44) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL28338711 0.83 HTR2A (0.48) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL21895871 0.83 MTNR1A (0.49) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL27880277 0.83 HTR2A (0.44) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL7052087 0.80 KMT2A (0.46) HTR2AHDAC3HDAC4HDAC7HDAC8
SCHEMBL28099492 0.79 KMT2A (0.48) HTR2AHDAC3HDAC4HDAC7HDAC8
Hexane SCHEMBL28816063 0.76 BCHE (0.45) HTR2AKMT2AEPHX2
SCHEMBL9813388 0.76 KMT2A (0.48) HDAC3HDAC4HDAC7HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308960-B1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION UNIV KYOTO (JP) 2016-01-13 EP disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 US disclosed
EP-2308960-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION Kyoto University (JP) 2011-04-13 EP disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-04 US disclosed
EP-1489077-A1 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-22 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 (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-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION EPCAM, HDGF, DSC1 HTR2A 1169/4885HDAC3 1298/4885HDAC4 1061/4885
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 HTR2A 601/4885HDAC3 466/4885HDAC4 2251/4885

“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.