SCHEMBL3986984

SCHEMBL3986984

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
PTPN1 P18031 5/20 0.38
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ATR Q13535 1/20 0.34
PARP1 P09874 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
SCHEMBL3986234 0.91 SMN1; SMN2 (0.42) HDAC4RAB9ASMN1; SMN2PTPN1MAPT
SCHEMBL3989174 0.88 SMN1; SMN2 (0.44) HDAC4RAB9ASMN1; SMN2PTPN1MAPT
SCHEMBL3984601 0.88 HDAC4 (0.45) HDAC4RAB9ASMN1; SMN2PTPN1MAPT
SCHEMBL3985563 0.85 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2PTPN1MAPTNPC1
SCHEMBL3981676 0.84 HDAC4 (0.41) HDAC4RAB9ASMN1; SMN2CYP1A2LMNA
SCHEMBL3983891 0.84 RAB9A (0.41) HDAC4RAB9ASMN1; SMN2PTPN1MAPT
SCHEMBL3984276 0.81 ALDH1A1 (0.44) RAB9ASMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL3989171 0.78 HDAC4 (0.54) HDAC4RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL3981673 0.78 POLB (0.41) HDAC4SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL3987264 0.76 PARP1 (0.50) RAB9ASMN1; SMN2PTPN1NPC1LMNA

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 12 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
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 HDAC4 928/4885RAB9A 3528/4885SMN1; SMN2 4569/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885RAB9A 2543/4885SMN1; SMN2 4168/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885RAB9A 2543/4885SMN1; 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.