SCHEMBL3986548

SCHEMBL3986548

CN1CCN(c2ccc(C3=NOC(CN)C3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ADRA2C P18825 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
PTK2B Q14289 1/20 0.43
ESR2 Q92731 1/20 0.43
MIF P14174 8/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
CHKA P35790 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3986993 0.86 RAB9A (0.45) MIFHDAC6PDE3BPDE3ARAB9A
SCHEMBL3986285 0.78 HDAC6 (0.41) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL3986544 0.78 MAPT (0.54) MAPTALDH1A1KMT2AMIFNPC1
SCHEMBL3983882 0.78 POLB (0.47) MIFHDAC6NPC1RAB9A
SCHEMBL3984130 0.78 MIF (0.41) MIFHDAC6NPC1RAB9A
SCHEMBL3983302 0.77 MIF (0.47) MIFHDAC6NPC1RAB9A
SCHEMBL3984075 0.77 HTR7 (0.45) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL3981654 0.75 MIF (0.41) MIFHDAC6NPC1RAB9A
SCHEMBL3984065 0.74 NPC1 (0.59) ALDH1A1KMT2AMIFNPC1RAB9A
SCHEMBL6853296 0.74 POLB (0.53) MIFNPC1RAB9A

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 9 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
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

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 MAPT 3962/4885KDM4E 993/4885ALDH1A1 468/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPT 3722/4885KDM4E 2875/4885ALDH1A1 974/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MAPT 3722/4885KDM4E 2875/4885ALDH1A1 974/4885

“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.