SCHEMBL824767

SCHEMBL824767

CNC(=O)c1c(C)cc(Cl)c(N2CCOCC2)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.40
MAPT P10636 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 4/20 0.39
TSHR P16473 4/20 0.39
HTT P42858 4/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
POLB P06746 3/20 0.39
NPC1 O15118 3/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL824765 0.77 MAPT (0.45) HPGDMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL824836 0.75 SMN1; SMN2 (0.50) HPGDMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL5058580 0.69 GPR55 (0.50) MAPTSMN1; SMN2RAB9ATSHRHTT
SCHEMBL23555248 0.67 CRHR1 (0.44) HPGDMAPTSMN1; SMN2RAB9AHTT
SCHEMBL1199782 0.67 MAPT (0.45) HPGDMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL824738 0.66 MAPT (0.53) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL24269710 0.65 KMT2A (0.45) MAPTSMN1; SMN2RAB9AHTTPOLB
SCHEMBL6625071 0.64 MAPT (0.43) HPGDMAPTSMN1; SMN2RAB9ATSHR
SCHEMBL21780674 0.64 CYP1A2 (0.51) MAPTSMN1; SMN2RAB9AHTTLMNA
SCHEMBL241043 0.64 PIK3CB (0.57) MAPTSMN1; SMN2RAB9ATSHRHTT

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-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 HPGD 1453/4885MAPT 3539/4885SMN1; SMN2 4189/4885

“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.