SCHEMBL13856498

SCHEMBL13856498

Cc1nc2c(-c3ccccc3)c(C)nn2c(N)c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 1.00
RAB9A P51151 6/20 1.00
KDM4E B2RXH2 5/20 1.00
MAPT P10636 5/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
HPGD P15428 2/20 1.00
ALDH1A1 P00352 2/20 1.00
HCRTR1 O43613 1/20 1.00
LMNA P02545 1/20 1.00
TP53 P04637 1/20 1.00
HTT P42858 1/20 1.00
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
BLM P54132 1/20 0.54
NCOA1 Q15788 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54

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
SCHEMBL7467461 0.89 NPC1 (0.80) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL13905634 0.83 NPC1 (0.70) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL25799538 0.78 MAPT (0.69) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL17457001 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL15613276 0.74 KDM4E (0.75) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4219600 0.74 MAPT (1.00) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL10927961 0.73 MAPT (0.66) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL10372114 0.72 NPC1 (0.56) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL22520839 0.72 MAPT (0.71) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL13517062 0.72 MAPT (0.65) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB NPC1 3055/4885RAB9A 4067/4885KDM4E 360/4885

“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.