SCHEMBL16539397

SCHEMBL16539397

COc1cc(NC2=C(C)C(=O)CC2)ccc1C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
BRD4 O60885 1/20 0.51
KMT2A Q03164 11/20 0.50
MEN1 O00255 7/20 0.50
TSHR P16473 1/20 0.50
MAPK14 Q16539 1/20 0.49
POLB P06746 3/20 0.48
AHR P35869 1/20 0.48
GPR27 Q9NS67 2/20 0.47
AVPR2 P30518 1/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL16539566 0.92 NPC1 (0.56) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16538970 0.91 MEN1 (0.63) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539015 0.90 STAT3 (0.51) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539937 0.90 BRD4 (0.55) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539686 0.89 POLB (0.55) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539244 0.89 SMN1; SMN2 (0.61) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539756 0.89 MAPK14 (0.48) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539464 0.88 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539321 0.86 KMT2A (0.54) SMN1; SMN2LMNAHTTBRD4KMT2A
SCHEMBL16539850 0.86 LMNA (0.57) SMN1; SMN2LMNAHTTBRD4KMT2A

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 SMN1; SMN2 4314/4885LMNA 3273/4885HTT 3022/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT SMN1; SMN2 4314/4885LMNA 3273/4885HTT 3022/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT SMN1; SMN2 4314/4885LMNA 3273/4885HTT 3022/4885

“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.