SCHEMBL1097203

SCHEMBL1097203

C[C@@H](NC(=O)c1ccc(Cl)s1)c1cc(-c2ccc(C(=N)N3CCCC3)cc2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
IDH1 O75874 2/20 0.39
F10 P00742 7/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
F2 P00734 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ACACB O00763 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
SCHEMBL10313052 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL1096495 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL10313005 0.99 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL1096006 0.99 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL1096606 0.99 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL1106541 0.83 F10 (0.40) SMN1; SMN2ALDH1A1HPGDF10KMT2A
SCHEMBL1096165 0.83 F10 (0.40) SMN1; SMN2ALDH1A1HPGDF10KMT2A
SCHEMBL13886838 0.81 IDH1 (0.34) SMN1; SMN2ALDH1A1HPGDIDH1F10
SCHEMBL1095346 0.81 POLB (0.45) SMN1; SMN2ALDH1A1HPGDF10LMNA
SCHEMBL1096412 0.80 POLB (0.44) SMN1; SMN2ALDH1A1HPGDF10LMNA

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
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP 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-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 (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 4168/4885ALDH1A1 974/4885HPGD 316/4885

“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.