SCHEMBL1106541

SCHEMBL1106541

C[C@H](NC(=O)c1ccc(Cl)s1)c1cc(-c2ccc(C(=N)N(C)C)cc2)no1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.40
ACACB O00763 3/20 0.38
ACACA Q13085 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
PRSS12 P56730 1/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL1096165 1.00 F10 (0.40) F10ACACBACACASMN1; SMN2MAPK1
SCHEMBL1096495 0.83 SMN1; SMN2 (0.40) F10ACACBACACASMN1; SMN2MAPK1
SCHEMBL10313052 0.83 SMN1; SMN2 (0.40) F10ACACBACACASMN1; SMN2MAPK1
SCHEMBL1097203 0.83 SMN1; SMN2 (0.40) F10ACACBACACASMN1; SMN2MAPK1
SCHEMBL1096606 0.82 SMN1; SMN2 (0.39) F10SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL10313005 0.82 SMN1; SMN2 (0.39) F10SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL1096006 0.82 SMN1; SMN2 (0.39) F10SMN1; SMN2MAPK1KMT2APOLB
SCHEMBL1106535 0.82 SMN1; SMN2 (0.39) ACACBACACASMN1; SMN2MAPK1MEN1
SCHEMBL10282119 0.82 RXFP1 (0.41) ACACBACACASMN1; SMN2LMNAHPGD
SCHEMBL8279763 0.82 RXFP1 (0.41) ACACBACACASMN1; SMN2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
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-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-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
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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 F10 8/4885ACACB 2406/4885ACACA 870/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 F10 8/4885ACACB 2406/4885ACACA 870/4885

“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.