SCHEMBL824618

SCHEMBL824618

O=c1[nH]c(-c2ccccc2)cc2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 5/20 0.59
KDM4E B2RXH2 7/20 0.57
LMNA P02545 3/20 0.57
NPC1 O15118 2/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
CYP19A1 P11511 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HPGD P15428 3/20 0.55
PARP1 P09874 2/20 0.49
HSD17B10 Q99714 2/20 0.49
CASP1 P29466 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CSF1R P07333 2/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
LCK P06239 1/20 0.48

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
SCHEMBL824615 0.87 KDM4E (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL15616256 0.84 PARP1 (0.47) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL30160913 0.82 PARP1 (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL28624953 0.82 PARP1 (0.61) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL29639160 0.81 TNKS (0.63) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL828493 0.81 TNKS (0.63) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL28629567 0.81 KDM4E (0.59) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL824662 0.81 PARP1 (0.56) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL30160749 0.81 KDM4E (0.59) KMT2AALDH1A1MEN1KDM4ELMNA
SCHEMBL824689 0.79 KDM4E (0.48) ALDH1A1KDM4ELMNANPC1RAB9A

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-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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 (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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 KMT2A 3020/4885ALDH1A1 2752/4885MEN1 3604/4885

“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.