SCHEMBL3081608

SCHEMBL3081608

COC(=O)c1cn(C)c(-c2ccc(I)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.46
GABRB2 P47870 11/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36

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
SCHEMBL1314260 0.85 GABRA2 (0.51) GABRA2GABRB2KDM4EALDH1A1RAB9A
SCHEMBL31537599 0.83 GABRA2 (0.42) GABRA2GABRB2KDM4EALDH1A1RAB9A
SCHEMBL15199632 0.74 MEN1 (0.41) GABRA2GABRB2KDM4EALDH1A1RAB9A
SCHEMBL8403570 0.71 NPSR1 (0.40) KDM4EALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL31497621 0.71 ADORA2A (0.52) KDM4EALDH1A1SMN1; SMN2ADORA2AADORA2B
SCHEMBL26001144 0.70 MEN1 (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL22479152 0.70 KDM4E (0.46) KDM4EALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL15322287 0.69 MAPT (0.40) GABRA2GABRB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL13181161 0.69 PTGS2 (0.40) GABRA2GABRB2ADORA2B
SCHEMBL3095507 0.69 PTGS2 (0.39) GABRA2GABRB2KDM4EALDH1A1RAB9A

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
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (2 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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 GABRA2 3275/4885GABRB2 3348/4885KDM4E 2399/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 GABRA2 3275/4885GABRB2 3348/4885KDM4E 2399/4885

“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.