SCHEMBL15601909

SCHEMBL15601909

CCc1cccc(NC(=O)NCCN(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.53
ALOX15 P16050 1/20 0.53
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL7463664 0.85 MAPT (0.70) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL6380798 0.83 MAPT (0.56) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL24211435 0.82 MAPT (0.61) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5779764 0.82 KMT2A (0.52) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL5565031 0.82 CNR1 (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15601832 0.82 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL2597849 0.81 HTT (0.64) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL15601858 0.80 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL15601854 0.80 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL5565486 0.79 MAPT (0.51) MAPTMEN1KMT2APOLBHTT

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-9062028-B2 Bicyclic nitrogen containing heteroaryl TGR5 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-23 US disclosed
US-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2014-03-20 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-20140080788-A1 NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS GRK5, GPBAR1, GPR55 MAPT 785/4885MEN1 3428/4885KMT2A 2045/4885

“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.