SCHEMBL4364055

SCHEMBL4364055

O=C(O)c1cc(Oc2ccc(OCc3ccccc3)cc2)ccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.59
P4HTM Q9NXG6 1/20 0.57
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
FFAR1 O14842 6/20 0.52
FFAR4 Q5NUL3 3/20 0.52
SRD5A2 P31213 1/20 0.51
MDM2 Q00987 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G4B P0C869 1/20 0.49
MAOB P27338 1/20 0.49
PARP10 Q53GL7 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL11617562 0.90 P4HTM (0.60) MCL1P4HTMNR4A1NR4A2NR4A3
SCHEMBL4359501 0.89 PARP10 (0.57) MCL1P4HTMNR4A1NR4A2NR4A3
SCHEMBL4364752 0.86 BRAF (0.62)
SCHEMBL22737610 0.85 GCK (0.54) MCL1P4HTMLMNA
Hydrochloric Acid SCHEMBL23067776 0.84 GCK (0.52) MCL1P4HTMLMNA
SCHEMBL3553761 0.83 POLB (0.56) MAOBLMNA
SCHEMBL4365227 0.82 KDM4E (0.49) MEN1KMT2APARP10
SCHEMBL11766205 0.81 CYP4F2 (0.56) MCL1P4HTMNR4A1NR4A2NR4A3
SCHEMBL4367998 0.78 LMNA (0.49) MCL1NR4A1NR4A2NR4A3FFAR1
SCHEMBL23488362 0.78 PARP10 (0.56) P4HTMNR4A1NR4A2NR4A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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 (1 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS MCL1 529/4885P4HTM 340/4885NR4A1 2382/4885

“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.