SCHEMBL3989624

SCHEMBL3989624

CN(C)Cc1ccccc1-c1ccc(-c2cc(C(N)=O)on2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
GRM2 Q14416 1/20 0.41
F10 P00742 5/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C19 P33261 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SCN9A Q15858 1/20 0.38
MLNR O43193 1/20 0.38

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
SCHEMBL3986291 0.91 RAB9A (0.47) SMN1; SMN2RAB9AF10ITGB1ITGA4
SCHEMBL3988035 0.84 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AF10CYP1A2KDM4E
SCHEMBL3984575 0.83 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ACYP1A2CYP2C19NPC1
SCHEMBL3985982 0.83 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AF10CYP1A2MAPT
SCHEMBL3987264 0.82 PARP1 (0.50) SMN1; SMN2RAB9ANPC1
SCHEMBL3985243 0.80 RAB9A (0.50) SMN1; SMN2RAB9A
SCHEMBL3989627 0.79 NOTUM (0.58) SMN1; SMN2RAB9AGRM2CYP1A2CYP2D6
SCHEMBL3990001 0.78 APP (0.45) F10F2SCN9A
SCHEMBL3981837 0.77 RAB9A (0.47) SMN1; SMN2RAB9A
SCHEMBL3989110 0.76 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AGRM2CYP1A2CYP2C19

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 11 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
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
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 3528/4885GRM2 4795/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885RAB9A 2543/4885GRM2 4874/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885RAB9A 2543/4885GRM2 4874/4885

“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.