SCHEMBL3986522

SCHEMBL3986522

NC(=O)c1cc(-c2ccc(C=NN3CCC3)cc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ASIC1 P78348 1/20 0.38
MAPT P10636 2/20 0.36
SCD O00767 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
USP30 Q70CQ3 3/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL15774375 0.78 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL3979790 0.76 HDAC3 (0.39) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL3989969 0.75 IP6K1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL3986527 0.73 SCD (0.39) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL3990069 0.73 HPGD (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL3984428 0.72 PARP1 (0.55) ALDH1A1CYP2C19HDAC3HDAC1HDAC2
SCHEMBL15774608 0.72 HSD17B1 (0.47) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL3981490 0.72 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL3989188 0.72 LMNA (0.51) RAB9ANPC1SMN1; SMN2LMNAKDM4E
SCHEMBL3983043 0.71 LRRK2 (0.48) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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 RAB9A 3528/4885NPC1 1087/4885SMN1; SMN2 4569/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885SMN1; SMN2 4168/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 RAB9A 2543/4885NPC1 887/4885SMN1; SMN2 4168/4885

“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.