SCHEMBL13865849

SCHEMBL13865849

Cc1nc2cccc(C)c2nc1-c1cccc(C(=O)NC(C)C(C)CCC(C)C)c1SCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PDE7A Q13946 1/20 0.34
▸ PDE7B Q9NP56 1/20 0.34
▸ TACR3 P29371 2/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ELANE P08246 1/20 0.32
▸ FNTA P49354 2/20 0.32
▸ FNTB P49356 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL13865851 0.68 MAPT (0.37) MAPTMAPK1RAB9APIM1PIM2
SCHEMBL13865840 0.63 MAPT (0.40) MAPTMAPK1RAB9APIM1PIM2
SCHEMBL9523771 0.60 ALDH1A1 (0.51) SMN1; SMN2MAPTKDM4ECYP2C9CYP1A2
SCHEMBL21798649 0.59 MAPT (0.51) SMN1; SMN2MAPTMAPK1RAB9AKDM4E
SCHEMBL21798672 0.59 MAPT (0.47) SMN1; SMN2MAPTMAPK1RAB9AKDM4E
SCHEMBL8822600 0.58 L3MBTL1 (0.58) SMN1; SMN2MAPTMAPK1RAB9AKDM4E
SCHEMBL27317023 0.58 NPC1 (0.44) SMN1; SMN2RAB9ACYP2C9LMNAMEN1
SCHEMBL8802391 0.58 MAPT (0.51) MAPTMAPK1RAB9APIM1PIM2
SCHEMBL21798673 0.58 MAPT (0.46) SMN1; SMN2MAPTMAPK1RAB9AKDM4E
SCHEMBL13865843 0.57 RAB9A (0.51) SMN1; SMN2MAPTMAPK1RAB9APIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137597-A1 Novel quinoxalinone derivatives MSD K.K. (JP) 2009-05-28 — — US disclosed
US-7388010-B2 Quinoxalinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-17 — — 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-20090137597-A1 Novel quinoxalinone derivatives NDUFB1, NDUFB6, NDUFB7 SMN1; SMN2 3114/4885MAPT 4476/4885MAPK1 786/4885

“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.

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