SCHEMBL4098050

SCHEMBL4098050

CC(C)Cc1nc2c(oc3ccccc32)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
GLA P06280 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
MAPK1 P28482 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PIM1 P11309 10/20 0.52
CSNK2B P67870 10/20 0.52
CSNK2A2 P19784 9/20 0.52
PIM3 Q86V86 9/20 0.52
PIM2 Q9P1W9 9/20 0.52
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CDC7 O00311 2/20 0.44
CSNK2A1 P68400 2/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL20667972 0.85 ALDH1A1 (1.00) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL24847196 0.82 ALDH1A1 (0.75) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL1855348 0.82 ALDH1A1 (0.75) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL30080447 0.82 ALDH1A1 (0.75) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL15304529 0.77 ALDH1A1 (0.68) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL30914113 0.76 ALDH1A1 (0.68) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL27238675 0.76 ALDH1A1 (0.68) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL4273392 0.75 ALDH1A1 (0.63) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL30914158 0.74 ALDH1A1 (0.62) ALDH1A1GLAL3MBTL1MAPTPKM
SCHEMBL19414189 0.73 TNKS2 (0.69) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
US-20090214529-A9 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2009-08-27 US disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
WO-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 US disclosed
US-20080292626-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-11-27 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 (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-20090214529-A9 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885GLA 1588/4885L3MBTL1 1962/4885
US-20080292626-A1 KINESIN INHIBITORS KIF5B, KIF5A, KIF5C ALDH1A1 1978/4885GLA 1588/4885L3MBTL1 1962/4885

“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.