SCHEMBL1698952

SCHEMBL1698952

OCc1cncn1-c1ccc(I)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
NOS1 P29475 3/20 0.38
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
COMT P21964 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
SCHEMBL4833974 0.82 CYP11B1 (0.44) CYP11B1CYP11B2NOS1CYP3A4CYP2D6
SCHEMBL14243162 0.79 CYP11B1 (0.43) CYP11B1CYP11B2NOS1CYP3A4CYP2D6
SCHEMBL16100223 0.79 CYP11B2 (0.61) CYP11B1CYP11B2
SCHEMBL13153540 0.68 HPGD (0.46)
SCHEMBL899423 0.67 CYP11B2 (0.35) CYP11B1CYP11B2NOS1
SCHEMBL9473672 0.66 NOTUM (0.43) CYP11B1CYP11B2NOS1
SCHEMBL10872204 0.65 CYP2C19 (0.38) CYP11B1CYP11B2NOS1
SCHEMBL20599514 0.64 NPC1 (0.40) CYP11B1CYP11B2NOS1CYP3A4CYP2D6
SCHEMBL5317934 0.63
SCHEMBL10235433 0.63 NOS1 (0.49) CYP11B1CYP11B2NOS1CYP3A4CYP2D6

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US 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
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 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
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 (6 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 CYP11B1 410/4885CYP11B2 474/4885NOS1 1685/4885
US-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP11B1 289/4885CYP11B2 339/4885NOS1 1564/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 CYP11B1 289/4885CYP11B2 339/4885NOS1 1564/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP11B1 289/4885CYP11B2 339/4885NOS1 1564/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP11B1 289/4885CYP11B2 339/4885NOS1 1564/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CYP11B1 289/4885CYP11B2 339/4885NOS1 1564/4885

“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.