SCHEMBL3751941

SCHEMBL3751941

[CH2]c1cc(-c2ccccc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.61
NPC1 O15118 11/20 0.61
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NOTUM Q6P988 2/20 0.53
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL2301989 0.79 RAB9A (0.56) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL562245 0.79 PTGS2 (0.47) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2309158 0.79 CYP2A6 (0.59) RAB9ANPC1SMN1; SMN2CYP1A2CYP2C9
3,5-Diphenylisoxazole SCHEMBL1421260 0.76 NPC1 (1.00) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL19379939 0.76 RAB9A (0.63) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL6352556 0.75 NPC1 (0.59) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL8524434 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL354043 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL12959175 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM
SCHEMBL16519877 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
CN-113166182-A Aminopeptidase A inhibitor and pharmaceutical composition comprising the same 量子基因公司 2021-07-23 CN disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
WO-2005044008-A2 2 -AMINOTHIOPHENE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-05-19 WO disclosed
US-5633268-A FUNGICIDES, INSECTICIDES, PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-27 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 (3 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 RAB9A 483/4885NPC1 790/4885MEN1 538/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885NPC1 4197/4885MEN1 2853/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 RAB9A 899/4885NPC1 1060/4885MEN1 2400/4885

“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.