SCHEMBL824744

SCHEMBL824744

CCOC(=O)Nc1ccc2cc(-c3ccc(F)cc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 2/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 1/20 0.39
ELANE P08246 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL824611 0.89 KIT (0.42) KCNQ2RAB9ANPC1MAPTELANE
SCHEMBL2711573 0.87 AURKA (0.39) MAPTALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL824819 0.81 KIT (0.45) KCNQ2RAB9ANPC1MAPTELANE
SCHEMBL824672 0.81 HPGD (0.41) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL824743 0.79 RAB9A (0.40) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL824719 0.79 FFAR1 (0.41) MAPTALDH1A1KDM4ELMNA
SCHEMBL824799 0.79 SMN1; SMN2 (0.42) ALDH1A1HTTSMN1; SMN2LMNAMAPK1
SCHEMBL824812 0.78 FFAR1 (0.40)
SCHEMBL824710 0.78 FFAR1 (0.40) KCNQ2MAPTALDH1A1CYP1A2KDM4E
SCHEMBL824707 0.77 ROCK2 (0.53) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KCNQ2 988/4885RAB9A 3391/4885NPC1 490/4885

“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.