SCHEMBL2432923

SCHEMBL2432923

COc1ccc(-c2cc3ccc(OC)cc3c(=O)[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.60
ALDH1A1 P00352 10/20 0.60
HPGD P15428 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
PARP1 P09874 1/20 0.58
MAPT P10636 4/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
LMNA P02545 3/20 0.52
GSK3B P49841 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TNKS O95271 1/20 0.49
GAA P10253 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL2428824 0.91 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12324336 0.91 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769828 0.90 KDM4E (0.63) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4773470 0.88 PARP1 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769021 0.86 TNKS (0.64) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2427338 0.84 TNKS (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14860377 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12324322 0.81 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4769329 0.81 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14859984 0.80 TNKS (0.49) KDM4EALDH1A1HPGDSMN1; SMN2PARP1

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
EP-2542239-B1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2015-11-11 EP disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 US disclosed
EP-2542239-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME Université Joseph Fourier (FR) 2013-01-09 EP disclosed
WO-2011107709-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2011-09-09 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 (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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA KDM4E 1796/4885ALDH1A1 2507/4885HPGD 61/4885

“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.