SCHEMBL4366143

SCHEMBL4366143

CC(=O)Nc1cccc(Oc2ccc(N)c(N)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
NR4A1 P22736 1/20 0.50
KDR P35968 1/20 0.49
CDK8 P49336 2/20 0.49
CYP1A2 P05177 1/20 0.49
PIP4K2A P48426 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
SCHEMBL3728921 0.87 MTNR1A (0.62) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3250424 0.87 NR4A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL930493 0.86 MTNR1A (0.61) MTNR1AMTNR1BALDH1A1SMN1; SMN2LMNA
SCHEMBL14338249 0.86 MTNR1B (0.69) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL9162294 0.84 MTNR1B (0.77) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL13041371 0.84 ALDH1A1 (0.55) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL5345460 0.83 MEN1 (0.61) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL14375415 0.83 MEN1 (0.61) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL12888865 0.83 MAPK1 (0.65) MTNR1AMTNR1BALDH1A1NPC1RAB9A
SCHEMBL3728925 0.82 ALDH1A1 (0.56) MTNR1AMTNR1BALDH1A1NPC1RAB9A

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 11 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
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 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
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 MTNR1A 2937/4885MTNR1B 1843/4885ALDH1A1 955/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 MTNR1A 2937/4885MTNR1B 1843/4885ALDH1A1 955/4885
US-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS MTNR1A 1396/4885MTNR1B 982/4885ALDH1A1 255/4885

“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.