SCHEMBL1106535

SCHEMBL1106535

[C-]#[N+]c1ccc(-c2cc([C@@H](C)NC(=O)c3ccc(Cl)s3)on2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.36
NPC1 O15118 7/20 0.35
RAB9A P51151 7/20 0.35
ALDH1A1 P00352 6/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34

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
SCHEMBL8279763 0.84 RXFP1 (0.41) SMN1; SMN2ACACBACACALMNAHPGD
SCHEMBL10282119 0.84 RXFP1 (0.41) SMN1; SMN2ACACBACACALMNAHPGD
SCHEMBL1096165 0.82 F10 (0.40) SMN1; SMN2HDAC3HDAC4HDAC1ACACB
SCHEMBL1106541 0.82 F10 (0.40) SMN1; SMN2HDAC3HDAC4HDAC1ACACB
SCHEMBL1150103 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ACACBACACALMNANPC1
SCHEMBL1097231 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ACACBACACALMNANPC1
SCHEMBL1096676 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ACACBACACALMNANPC1
SCHEMBL1097203 0.79 SMN1; SMN2 (0.40) SMN1; SMN2HDAC3HDAC1ACACBACACA
SCHEMBL1096495 0.79 SMN1; SMN2 (0.40) SMN1; SMN2HDAC3HDAC1ACACBACACA
SCHEMBL10313052 0.79 SMN1; SMN2 (0.40) SMN1; SMN2HDAC3HDAC1ACACBACACA

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-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 (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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885HDAC3 345/4885HDAC4 1245/4885

“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.