SCHEMBL1779536

SCHEMBL1779536

Cn1ccc(C(=O)Nc2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.66
NPC1 O15118 8/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
TP53 P04637 1/20 0.66
F2 P00734 1/20 0.61
PLAU P00749 1/20 0.61
KLKB1 P03952 1/20 0.61
ELANE P08246 1/20 0.61
ROCK1 Q13464 1/20 0.60
PKM P14618 1/20 0.57
HTT P42858 1/20 0.56
POLB P06746 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL15798268 0.86 NPC1 (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29348766 0.85 NPC1 (0.62) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29348767 0.84 NPC1 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2362520 0.81 F2 (0.63) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14516724 0.80 NPC1 (0.58) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL13626443 0.80 NPC1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1779676 0.78 HDAC1 (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL26849762 0.78 RAB9A (0.56) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL7858483 0.78 TSHR (0.66) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14340259 0.77 RAB9A (0.55) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 CN disclosed
EP-4214197-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS Nura Bio, Inc. (US) 2023-07-26 EP disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 CN disclosed
WO-2022060812-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS SARM1 INHIBITORS NURA BIO, INC. (US) 2022-03-24 WO disclosed
US-20110178148-A1 SUBSTITUTED 5-VINYLPHENYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-7943653-B2 Substituted 5-vinylphenyl-1-phenyl-pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-17 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-20110178148-A1 SUBSTITUTED 5-VINYLPHENYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 RAB9A 1069/4885NPC1 419/4885SMN1; SMN2 2848/4885

“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.