SCHEMBL6766046

SCHEMBL6766046

CCOC(=O)c1cn(-c2cc3ccccc3cc2Br)nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
DCTPP1 Q9H773 1/20 0.42
P2RX7 Q99572 1/20 0.41
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL6761570 0.83 KDM4E (0.48) NPC1KDM4ELMNANPSR1TDP1
SCHEMBL6172144 0.77 NPSR1 (0.67) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL3207023 0.76 TSHR (0.59) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL23803875 0.75 NPC1 (0.40) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL30152297 0.75 NPC1 (0.40) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL1806594 0.75 DCTPP1 (0.45) NPC1KDM4ERAB9ALMNATSHR
SCHEMBL26005165 0.75 CA12 (0.61) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL6314496 0.73 NPSR1 (0.45) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL3835517 0.73 NPC1 (0.56) NPC1KDM4ERAB9ASMN1; SMN2LMNA
SCHEMBL23803909 0.72 LMNA (0.47) NPC1KDM4ERAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-6720317-B1 1-NAPHTH-2-YL-1H-PYRAZOLE-5-(4-AMIDINOPHENYL)CARBOXYAMIDE, MULTIPLY SUBSTITUTED; NON AMIDINO ANTICOAGULANTS; HEMOSTATIC AGENTS MILLENNIUM PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-6686368-B1 Inhibitors of factor Xa MILLENNIUM PAHRMACEUTICALS, INC. 2004-02-03 US disclosed
US-6632815-B2 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
US-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades MILLENNIUM PHARMACEUTICALS, INC. 2002-07-11 US disclosed
EP-1216231-A2 INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001019798-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2001-03-22 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-20020091116-A1 Show selectivity for factor Xa versus other proteases of coagulation or the fibrinolytic cascades SERPINC1, TFPI, F2 NPC1 3613/4885KDM4E 3940/4885RAB9A 1818/4885

“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.