SCHEMBL20772147

SCHEMBL20772147

COC(=O)c1cccc(COc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
POLB P06746 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TDP1 Q9NUW8 4/20 0.54
PPARG P37231 1/20 0.51
ATM Q13315 1/20 0.50
NR1H4 Q96RI1 3/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ARHGEF12 Q9NZN5 1/20 0.46

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
SCHEMBL31338661 1.00 MRGPRX4 (0.57) MRGPRX4NPC1RAB9AMEN1KMT2A
SCHEMBL20772352 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL22028726 0.91 PPARG (0.64) MRGPRX4NPC1RAB9AMEN1KMT2A
SCHEMBL31338663 0.91 NPC1 (0.58) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL31338662 0.91 PPARG (0.64) MRGPRX4NPC1RAB9AMEN1KMT2A
SCHEMBL13044232 0.82 MEN1 (0.76) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL20772245 0.81 ALDH1A1 (0.53) MRGPRX4NPC1RAB9AKMT2APOLB
SCHEMBL30057589 0.81 ALDH1A1 (0.53) MRGPRX4NPC1RAB9AKMT2APOLB
SCHEMBL9369666 0.81 MRGPRX4 (0.69) MRGPRX4NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL25058825 0.81 KMT2A (0.63) NPC1RAB9AMEN1KMT2APOLB

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
EP-4219458-A2 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER Bar Ilan University (IL) 2023-08-02 EP disclosed
EP-4219458-A2 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER Bar Ilan University (IL) 2023-08-02 EP disclosed
US-20230150949-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER UNIV BAR ILAN (IL) 2023-05-18 US disclosed
US-20230150949-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER UNIV BAR ILAN (IL) 2023-05-18 US disclosed
US-20230150949-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER UNIV BAR ILAN (IL) 2023-05-18 US disclosed
EP-3676256-B1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER UNIV BAR ILAN (IL) 2023-02-22 EP disclosed
EP-3676256-B1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER UNIV BAR ILAN (IL) 2023-02-22 EP disclosed
EP-3676256-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER Bar Ilan University (IL) 2020-07-08 EP disclosed
US-20200181094-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER GENEVA UNIVERSITY HOSPITALS (CH) 2020-06-11 US disclosed
US-20200181094-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER GENEVA UNIVERSITY HOSPITALS (CH) 2020-06-11 US disclosed
WO-2019043706-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER BAR-ILAN UNIVERSITY (IL) 2019-03-07 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 (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-20230150949-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER ICAM1, NFKBIA, SLC6A1 MRGPRX4 811/4885NPC1 1455/4885RAB9A 1091/4885
US-20200181094-A1 NOVEL BARBITURIC ACID DERIVATIVES, THEIR PREPARATION AND USE THEREOF AS LEUKOCYTE TRANSMIGRATION INHIBITORS AND FOR TREATING INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES AND CANCER ICAM1, NFKBIA, SLC6A1 MRGPRX4 811/4885NPC1 1455/4885RAB9A 1091/4885

“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.