SCHEMBL1781872

SCHEMBL1781872

[O]C(=O)Cc1cccc2c1ccc1ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
HPRT1 P00492 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ACP3 P15309 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PTGER4 P35408 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2A6 P11509 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL1200327 0.89 TDP1 (0.71) TDP1MEN1KMT2AATML3MBTL1
SCHEMBL1568369 0.86 HPRT1 (0.47) TDP1HPRT1MEN1KMT2ACYP2C19
SCHEMBL27784108 0.86 TDP1 (0.79) TDP1HPRT1MEN1KMT2AATM
SCHEMBL10628907 0.86 TDP1 (0.79) TDP1HPRT1MEN1KMT2AATM
SCHEMBL28630441 0.84 TDP1 (0.56) TDP1HPRT1MEN1KMT2AATM
SCHEMBL28879925 0.81 TDP1 (0.53) TDP1HPRT1MEN1KMT2AATM
SCHEMBL26180948 0.80 TDP1 (0.56) TDP1HPRT1MEN1KMT2AATM
SCHEMBL28958198 0.80 TDP1 (0.51) TDP1HPRT1MEN1KMT2AATM
SCHEMBL29391795 0.79 HPRT1 (0.61) TDP1HPRT1CYP2C19ACP3HPGD
SCHEMBL129025 0.79 HPRT1 (0.61) TDP1HPRT1CYP2C19ACP3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460814-A1 PEPTIDIC COMPOUND AND USE OF SAME Keio University (JP) 2012-06-06 EP disclosed
US-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME KEIO UNIVERSITY (JP) 2012-05-17 US disclosed
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 EP disclosed
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION KYOTO UNIVERSITY (JP) 2011-05-19 US 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 (4 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-20120122797-A1 PEPTIDIC COMPOUND AND USE OF SAME ASNS, ANPEP, NGLY1 TDP1 4630/4885HPRT1 3981/4885MEN1 74/4885
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 TDP1 4589/4885HPRT1 393/4885MEN1 348/4885
US-20110117651-A1 CELL ADHESION PROMOTING AGENT AND METHOD OF PROMOTING CELL ADHESION EPCAM, HDGF, DSC1 TDP1 4688/4885HPRT1 2743/4885MEN1 1989/4885
US-20050171196-A1 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same GLP1R, GCGR, GPR119 TDP1 3923/4885HPRT1 1920/4885MEN1 1481/4885

“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.