SCHEMBL8547880

SCHEMBL8547880

CONC(=O)c1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
ATM Q13315 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC1 Q13547 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL9402939 0.81 CA1 (0.59) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL27951738 0.81 MAPT (0.70) RAB9ANPC1ATMKDM4EGAA
SCHEMBL14602517 0.81 LMNA (0.55) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL3645797 0.81 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2GAAMEN1
SCHEMBL28647585 0.81 MAPT (0.50) RAB9ASMN1; SMN2GAAMEN1KMT2A
SCHEMBL13527524 0.80 CES2 (0.55) KDM4EKMT2AHDAC1HDAC3HDAC4
SCHEMBL28816809 0.80 SMN1; SMN2 (0.50) RAB9ANPC1ATMSMN1; SMN2KDM4E
SCHEMBL10763261 0.79 MAPT (0.47) RAB9ANPC1SMN1; SMN2GAAKMT2A
SCHEMBL8638149 0.79 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL27916996 0.79 OGG1 (0.61) RAB9ANPC1ATMSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735756-B Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis 陕西师范大学 2024-04-26 CN disclosed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
CN-113735756-A Method for synthesizing chiral 3, 3-disubstituted isoindolinone compound by rhodium catalysis 陕西师范大学 2021-12-03 CN disclosed
CN-110305062-B Substituted isoquinolone compound and synthesis method and application thereof 广州医科大学 2021-01-05 CN disclosed
CN-103288711-A Preparation method of 3-hydroxy-2-alkoxy-3-phenyl-isoindol-1(2H)-ketone derivatives UNIV TIANJIN 2013-09-11 CN disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
US-7648997-B2 Immunomodulators for inducing cytokine biosynthesis, for treatment of diseases including viral and neoplastic diseases; 1-[3-(Aminooxy)propyl]-2-propyl-1H-imidazo[4,5-c]quinolin-4-amine; N-[3-(4-Amino-2-propyl-1H-imidazo[4,5-c]quinolin-1-yl)propoxy]cyclopropanecarboxamide COLEY PHARMACEUTICAL GROUP, INC. (US) 2010-01-19 US disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
US-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-05-15 US disclosed
EP-0863757-A1 2-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 1998-09-16 EP disclosed
EP-0863757-A4 1998-09-16 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-20080114019-A1 Hydroxylamine Substituted Imidazoquinolines IFNG, IRF3, IL2 RAB9A 3945/4885NPC1 4215/4885ATM 3753/4885

“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.