SCHEMBL3757780

SCHEMBL3757780

O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.64
MEN1 O00255 13/20 0.57
KMT2A Q03164 13/20 0.57
POLB P06746 10/20 0.57
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 3/20 0.53
GALK1 P51570 1/20 0.53
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
RECQL P46063 1/20 0.51
RPS6KA3 P51812 1/20 0.50
PTBP1 P26599 1/20 0.49
BLM P54132 3/20 0.48
USP2 O75604 2/20 0.48
DNMT1 P26358 2/20 0.48
PPP1CA P62136 1/20 0.48
CACNA1B Q00975 1/20 0.48

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
SCHEMBL3757779 1.00 NR4A1 (0.64) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL3755954 0.88 ITGA4 (0.65) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL3755958 0.88 ITGA4 (0.65) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5734258 0.87 ABL1 (0.64) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5734261 0.87 ABL1 (0.64) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5735689 0.86 NR4A1 (0.63) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5735693 0.86 NR4A1 (0.63) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL13856167 0.78 NR4A1 (1.00) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5735622 0.78 NR4A1 (0.76) NR4A1MEN1KMT2APOLBMAPT
SCHEMBL5735625 0.78 NR4A1 (0.76) NR4A1MEN1KMT2APOLBMAPT

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 5 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-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-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 NR4A1 3205/4885MEN1 1989/4885KMT2A 1070/4885
US-20120289569-A1 INHIBITORS OF UBIQUITIN E1 CUL1, UBQLN1, UBE2E1 NR4A1 3205/4885MEN1 1989/4885KMT2A 1070/4885
US-20100305180-A1 INHIBITORS OF UBIQUITIN E1 CUL1, UBQLN1, UBE2E1 NR4A1 3205/4885MEN1 1989/4885KMT2A 1070/4885

“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.