SCHEMBL824743

SCHEMBL824743

CCCCCOC(=O)Nc1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.40
HPGD P15428 6/20 0.40
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.40
FAAH O00519 1/20 0.40
PTGS2 P35354 1/20 0.40
NPC1 O15118 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
KIT P10721 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
SCHEMBL824672 0.94 HPGD (0.41) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL824611 0.90 KIT (0.42) RAB9AHPGDLMNANPC1SMN1; SMN2
SCHEMBL824719 0.89 FFAR1 (0.41) LMNAKDM4EALDH1A1KITFFAR1
SCHEMBL824812 0.89 FFAR1 (0.40) KITFFAR1L3MBTL1
SCHEMBL824718 0.87 FFAR1 (0.39) LMNAKITFFAR1MAPT
SCHEMBL824799 0.85 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1MAPK1TSHR
SCHEMBL824710 0.85 FFAR1 (0.40) LMNAKDM4EALDH1A1CYP1A2TSHR
SCHEMBL824707 0.84 ROCK2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1CASP3
SCHEMBL824810 0.84 ROCK2 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL824708 0.84 FFAR1 (0.39) KDM4EMAPK1KITFFAR1

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 RAB9A 3391/4885HPGD 1453/4885LMNA 4396/4885

“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.