SCHEMBL429084

SCHEMBL429084

[CH2]C(=O)Nc1ccc(N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 1/20 0.60
ATM Q13315 1/20 0.60
EPHX1 P07099 1/20 0.60
TP53 P04637 1/20 0.60
PKM P14618 1/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 3/20 0.59
MEN1 O00255 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
MCL1 Q07820 1/20 0.58
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL27592406 0.86 MAPT (0.69) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL1853814 0.84 MAPT (0.67) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL28786813 0.83 MAPT (0.65) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL429085 0.83 MAPT (0.75) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL1109329 0.81 MAPT (0.72) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL3539493 0.81 MAPT (0.63) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL5003684 0.81 MAPT (0.72) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL7550270 0.80 MAPT (0.67) MAPTSMN1; SMN2HDAC8HDAC6ALDH1A1
SCHEMBL24499473 0.79 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL7934478 0.79 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 EP 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-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI MAPT 4033/4885SMN1; SMN2 4383/4885HDAC8 432/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI MAPT 4033/4885SMN1; SMN2 4383/4885HDAC8 432/4885

“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.