SCHEMBL3095507

SCHEMBL3095507

Cn1cc(CO)nc1-c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PDE10A Q9Y233 4/20 0.35
KDM1A O60341 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
NOTUM Q6P988 2/20 0.33
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2B P29275 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL1314021 0.83 PDE10A (0.48) PTGS2PDE10ANOTUMMEN1KMT2A
SCHEMBL14147388 0.76 KDM4E (0.41) PDE10AKDM1AKDM4EALDH1A1
SCHEMBL3088089 0.72 HPGD (0.49) MEN1KMT2A
SCHEMBL859562 0.70
SCHEMBL1698943 0.70 PTGS2 (0.42) PTGS2NOTUMKDM4EALDH1A1
SCHEMBL13181161 0.70 PTGS2 (0.40) PTGS2GABRA2GABRB2ADORA2BHRH4
SCHEMBL3081608 0.69 GABRA2 (0.46) GABRA2GABRB2MEN1KMT2ARAB9A
SCHEMBL31254706 0.67 BRD4 (0.40) PTGS2KDM1AALDH1A1
SCHEMBL22769348 0.67 NR1H4 (0.45) PTGS2CSNK1DCSNK1E
SCHEMBL23778707 0.66 PTGDR2 (0.51) PTGS2GABRA2GABRB2MEN1KMT2A

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 10 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-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 PTGS2 885/4885PDE10A 432/4885KDM1A 2027/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 885/4885PDE10A 432/4885KDM1A 2027/4885

“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.