SCHEMBL2969563

SCHEMBL2969563

O=C(NCc1cccc([N+](=O)[O-])c1)O[C@H]1CCOC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.53
IMPDH2 P12268 3/20 0.49
IMPDH1 P20839 1/20 0.49
PTPN1 P18031 2/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL2969565 1.00 BCHE (0.53) BCHEIMPDH2IMPDH1PTPN1POLB
SCHEMBL12368240 0.83 IMPDH2 (0.51) BCHEIMPDH2IMPDH1
SCHEMBL13202467 0.82 BCHE (0.53) BCHEIMPDH2IMPDH1
SCHEMBL14518603 0.82 IMPDH2 (0.52) BCHEIMPDH2IMPDH1ALDH1A1KDM4E
SCHEMBL19747754 0.81 BCHE (0.59) BCHEIMPDH2IMPDH1
SCHEMBL12368238 0.81 IMPDH2 (0.49) BCHEIMPDH2IMPDH1
SCHEMBL6588176 0.81 MEN1 (0.52) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL4947755 0.81 MEN1 (0.52) POLBALDH1A1MEN1MAPTKMT2A
SCHEMBL14543430 0.79 IMPDH2 (0.50) BCHEIMPDH2IMPDH1
SCHEMBL6893614 0.75 IMPDH2 (0.44) BCHEIMPDH2IMPDH1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7777048-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-7777048-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-7777048-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-7544810-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-09 US disclosed
US-7544810-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-09 US disclosed
US-7544810-B2 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-09 US disclosed
US-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
EP-1879858-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF Vertex Pharmaceuticals, Inc. (US) 2008-01-23 EP disclosed
WO-2006122072-A2 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-16 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 (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-20080021222-A1 Processes for preparing biaryl ureas and analogs thereof IMPDH1, IMPDH2, UGDH BCHE 267/4885IMPDH2 2/4885IMPDH1 1/4885
US-20090221835-A1 PROCESSES FOR PREPARING BIARYL UREAS AND ANALOGS THEREOF IMPDH1, IMPDH2, UGDH BCHE 267/4885IMPDH2 2/4885IMPDH1 1/4885

“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.