SCHEMBL16539686

SCHEMBL16539686

COc1cccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)cc2OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
MAPK14 Q16539 2/20 0.51
BRD4 O60885 1/20 0.50
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 3/20 0.49
USP2 O75604 1/20 0.48
TNIK Q9UKE5 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 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
SCHEMBL16539015 0.91 STAT3 (0.51) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16538970 0.89 MEN1 (0.63) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16539397 0.89 SMN1; SMN2 (0.53) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16539476 0.89 BRD4 (0.56) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16539756 0.89 MAPK14 (0.48) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16539566 0.86 NPC1 (0.56) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16539244 0.85 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2KMT2AMEN1LMNA
SCHEMBL16539608 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL16539937 0.84 BRD4 (0.55) POLBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16539321 0.82 KMT2A (0.54) POLBNPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3038612-B1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-07-29 EP disclosed
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-07-16 US disclosed
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-04-19 US disclosed
US-9884806-B2 Cyclic vinylogous amides as bromodomain inhibitors ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-02-06 US disclosed
US-20160200666-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-07-14 US disclosed
EP-3038612-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS Icahn School of Medicine at Mount Sinai (US) 2016-07-06 EP disclosed
WO-2015031824-A9 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-06-16 WO disclosed
WO-2015031824-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2015-03-05 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-20160200666-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT POLB 853/4885NPC1 4127/4885RAB9A 2475/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT POLB 853/4885NPC1 4127/4885RAB9A 2475/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT POLB 853/4885NPC1 4127/4885RAB9A 2475/4885

“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.