SCHEMBL1106533

SCHEMBL1106533

CN(Cc1ccco1)C(=N)c1ccc(-c2cc(CN(C)C(=O)c3ccc(Cl)s3)on2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 4/20 0.42
HSD17B10 Q99714 3/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HPGD P15428 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
THRB P10828 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL1095742 0.89 HTT (0.45) ALDH1A1CYP1A2HSD17B10HPGDMEN1
SCHEMBL1096239 0.88 POLB (0.38) ALDH1A1HPGDRAB9ALMNAHTT
SCHEMBL1096810 0.88 POLB (0.39) ALDH1A1CYP1A2KMT2ARAB9ALMNA
SCHEMBL1095504 0.86 HDAC4 (0.38) ALDH1A1KMT2AMAPTRAB9ALMNA
SCHEMBL1096742 0.86 CHRNB2 (0.37) ALDH1A1HPGDKMT2ALMNAHTT
SCHEMBL1097403 0.85 CHRNB2 (0.38) ALDH1A1CYP1A2RAB9ALMNAHTT
SCHEMBL1096126 0.84 HDAC4 (0.41) ALDH1A1CYP1A2HPGDNPC1MAPT
SCHEMBL1096532 0.82 POLB (0.40) ALDH1A1CYP1A2HPGDMAPTRAB9A
SCHEMBL1106534 0.79 USP30 (0.40) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL1096781 0.79 USP30 (0.40) ALDH1A1HPGDMEN1KMT2ANPC1

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 4 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-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

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 ALDH1A1 974/4885CYP1A2 117/4885HSD17B10 682/4885

“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.