SCHEMBL1106538

SCHEMBL1106538

[C-]#[N+]c1ccc(-c2cc([C@@H](C)N)on2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
NOTUM Q6P988 4/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PRKDC P78527 2/20 0.32
ATM Q13315 2/20 0.32
ATR Q13535 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
PTGS2 P35354 1/20 0.30

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
SCHEMBL16043896 0.79 NOTUM (0.54) NPC1RAB9ANOTUMMEN1KMT2A
SCHEMBL8279764 0.75 GAA (0.40) NOTUM
SCHEMBL5423535 0.73 ACACB (0.45) NPC1RAB9ANOTUM
SCHEMBL3985550 0.72 F10 (0.34) S1PR1
SCHEMBL10312616 0.71 HDAC1 (0.38) ATMMEN1KMT2A
SCHEMBL1106539 0.71 HDAC1 (0.38) ATMMEN1KMT2A
SCHEMBL1106535 0.71 SMN1; SMN2 (0.39) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL12299891 0.66 S1PR1 (0.44) S1PR1NPC1RAB9ACASP3SENP8
SCHEMBL11965507 0.66 RAB9A (0.54) S1PR1NPC1RAB9ACASP3SENP8
SCHEMBL12052218 0.66 ADRB2 (0.50)

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 S1PR1 2160/4885NPC1 887/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 S1PR1 2160/4885NPC1 887/4885RAB9A 2543/4885

“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.