SCHEMBL76529

SCHEMBL76529

CCc1ccc(N)cc1N1CCCC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B10 Q99714 1/20 0.50
ATAD2 Q6PL18 2/20 0.44
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX5 P09917 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8270290 0.84 HSD17B10 (0.50) MAPK1KMT2AHSD17B10LMNATP53
SCHEMBL17979899 0.82 HSD17B10 (0.59) MAPK1KMT2AHSD17B10KDM4EGAA
SCHEMBL27811318 0.81 LMNA (0.45) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL1937361 0.79 PARP1 (0.51) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL30168124 0.79 HSD17B10 (0.59) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL3866085 0.79 HSD17B10 (0.59) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL4298970 0.79 HSD17B10 (0.47) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL85903 0.78 ALOX5 (0.55) KMT2AHSD17B10GAALMNATP53
SCHEMBL8156658 0.78 KMT2A (0.49) MAPK1KMT2AHSD17B10ATAD2KDM4E
SCHEMBL85190 0.78 POLB (0.50) KMT2AHSD17B10KDM4EGAALMNA

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1518541-A Phenyl derivatives Ĭ��ר���ɷ����޹�˾ 2004-08-04 CN claimed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US claimed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP claimed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 WO claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20040087582-A1 Phenyl derivatives MERCK PATENT GESELLSCHAFT (DE) 2004-05-06 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
US-20040082563-A1 Phenyl derivatives 3 MERCK PATENT GMBH (DE) 2004-04-29 US disclosed
WO-2004035039-A1 HETEROCYCLIC AMIDES AND THEIR USE IN TREATING THROMBOEMBOLIC DISEASES AND TUMORS MERCK PATENT GMBH (DE) 2004-04-29 WO disclosed
EP-1368341-A1 PHENYL DERIVATIVES 3 MERCK PATENT GmbH (DE) 2003-12-10 EP disclosed
EP-1351938-A1 PHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2003-10-15 EP disclosed
WO-2002074765-A1 PHENYL DERIVATIVES 3 MERCK PATENT GMBH (DE) 2002-09-26 WO disclosed
WO-2002057236-A1 PHENYL DERIVATIVES MERCK PATENT GMBH (DE) 2002-07-25 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 (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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX MAPK1 2635/4885KMT2A 1530/4885HSD17B10 1259/4885
US-20040082563-A1 Phenyl derivatives 3 F2, F11, F12 MAPK1 1563/4885KMT2A 1927/4885HSD17B10 2397/4885
US-20040087582-A1 Phenyl derivatives F2, F11, SERPINC1 MAPK1 601/4885KMT2A 2252/4885HSD17B10 1952/4885

“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.