SCHEMBL3990122

SCHEMBL3990122

CN(C)C(=N)c1ccc(-c2cc(C(N)=O)on2)c(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
TTR P02766 1/20 0.37
PARP10 Q53GL7 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
F10 P00742 4/20 0.36
F2 P00734 3/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 1/20 0.35
CTNNB1 P35222 1/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRD4 O60885 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 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
SCHEMBL3986288 0.92 CYP1A2 (0.42) SMN1; SMN2RAB9APARP10HPGDALDH1A1
SCHEMBL3981771 0.87 MKNK1 (0.40) SMN1; SMN2RAB9AHPGDALDH1A1F10
SCHEMBL3990032 0.84 MAPK1 (0.40) SMN1; SMN2RAB9AALDH1A1F10F2
SCHEMBL3982396 0.84 F10 (0.37) SMN1; SMN2RAB9APARP10F10F2
SCHEMBL3989729 0.81 SCD (0.39) RAB9APARP10ALDH1A1F10CTNNB1
SCHEMBL3989082 0.80 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AHPGDF10CYP1A2
SCHEMBL3979795 0.78 AR (0.39) SMN1; SMN2RAB9AHPGDCYP1A2CYP2C19
SCHEMBL3985563 0.76 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL3989829 0.75 MAPT (0.41) SMN1; SMN2RAB9APARP10HPGDALDH1A1
SCHEMBL3984173 0.73 F10 (0.44) SMN1; SMN2HPGDALDH1A1F10CYP1A2

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 13 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 claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO claimed
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-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
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 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 (3 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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 SMN1; SMN2 4569/4885RAB9A 3528/4885TTR 336/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885RAB9A 2543/4885TTR 1391/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885RAB9A 2543/4885TTR 1391/4885

“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.