SCHEMBL3755954

SCHEMBL3755954

O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccco1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.65
ITGB7 P26010 1/20 0.65
NR4A1 P22736 1/20 0.65
KMT2A Q03164 14/20 0.64
MEN1 O00255 12/20 0.64
POLB P06746 9/20 0.61
GAA P10253 3/20 0.61
DNMT1 P26358 3/20 0.61
BLM P54132 3/20 0.61
USP2 O75604 1/20 0.61
MAPT P10636 9/20 0.57
ALDH1A1 P00352 6/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GFER P55789 2/20 0.57
CTDSP1 Q9GZU7 2/20 0.57
HPGD P15428 2/20 0.56
JAK2 O60674 1/20 0.56
ZAP70 P43403 1/20 0.56
SYK P43405 1/20 0.56

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
SCHEMBL3755958 1.00 ITGA4 (0.65) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5735689 0.92 NR4A1 (0.63) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5735693 0.92 NR4A1 (0.63) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL3757780 0.88 NR4A1 (0.64) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5734258 0.88 ABL1 (0.64) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL3757779 0.88 NR4A1 (0.64) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5734261 0.88 ABL1 (0.64) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5734900 0.81 NR4A1 (0.63) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5734905 0.81 NR4A1 (0.63) ITGA4ITGB7NR4A1KMT2AMEN1
SCHEMBL5735622 0.79 NR4A1 (0.76) NR4A1KMT2AMEN1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289569-A1 INHIBITORS OF UBIQUITIN E1 THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-15 US disclosed
US-20120289569-A1 INHIBITORS OF UBIQUITIN E1 THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-15 US disclosed
US-20120289569-A1 INHIBITORS OF UBIQUITIN E1 THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-15 US disclosed
US-8242160-B2 Inhibitors of ubiquitin E1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-14 US disclosed
US-8242160-B2 Inhibitors of ubiquitin E1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-14 US disclosed
US-8242160-B2 Inhibitors of ubiquitin E1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-14 US disclosed
US-20100305180-A1 INHIBITORS OF UBIQUITIN E1 WEISSMAN ALLAN M 2010-12-02 US disclosed
US-20100305180-A1 INHIBITORS OF UBIQUITIN E1 WEISSMAN ALLAN M 2010-12-02 US disclosed
US-20100305180-A1 INHIBITORS OF UBIQUITIN E1 WEISSMAN ALLAN M 2010-12-02 US disclosed
US-20080306130-A1 Inhibitors of ubiquitin E1 GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-11 US disclosed
US-20080306130-A1 Inhibitors of ubiquitin E1 GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-11 US disclosed
US-20080306130-A1 Inhibitors of ubiquitin E1 GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-12-11 US disclosed
WO-2007059356-A2 FURFURYLIDENE- PYRAZOLIDINES AND THEIR USE AS INHIBITORS OF UBIQUITIN E1 GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-05-24 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-20080306130-A1 Inhibitors of ubiquitin E1 CUL1, UBQLN1, UBE2E1 ITGA4 4795/4885ITGB7 4833/4885NR4A1 3205/4885
US-20120289569-A1 INHIBITORS OF UBIQUITIN E1 CUL1, UBQLN1, UBE2E1 ITGA4 4795/4885ITGB7 4833/4885NR4A1 3205/4885
US-20100305180-A1 INHIBITORS OF UBIQUITIN E1 CUL1, UBQLN1, UBE2E1 ITGA4 4795/4885ITGB7 4833/4885NR4A1 3205/4885

“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.