Sugi Predict

Sugi Predict / Compounds / SCHEMBL6360975

SCHEMBL6360975

SCHEMBL6360975

CCCNC(=O)c1sccc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ GAA P10253 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ MAPK10 P53779 1/20 0.39

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
SCHEMBL13753327 0.86 POLB (0.46) L3MBTL1POLBKDM4EKMT2ASMN1; SMN2
SCHEMBL6034337 0.83 HPGD (0.52) L3MBTL1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL6360579 0.81 NPC1 (0.59) L3MBTL1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13729926 0.80 SMN1; SMN2 (0.42) L3MBTL1POLBKDM4EKMT2ASMN1; SMN2
SCHEMBL6360047 0.80 OPRM1 (0.52) L3MBTL1POLBKMT2ASMN1; SMN2NPC1
SCHEMBL1621503 0.79 POLB (0.43) L3MBTL1POLBKDM4EKMT2ASMN1; SMN2
SCHEMBL6361488 0.78 KMT2A (0.61) POLBKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1346566 0.77 ALDH1A1 (0.49) L3MBTL1POLBKDM4EKMT2ASMN1; SMN2
SCHEMBL6360976 0.76 KMT2A (0.63) L3MBTL1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL14071907 0.75 ALDH1A1 (0.44) L3MBTL1POLBKDM4EKMT2ANPC1

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
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 — — 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 (2 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 L3MBTL1 3806/4885POLB 4046/4885KDM4E 4236/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 L3MBTL1 3806/4885POLB 4046/4885KDM4E 4236/4885

“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.