SCHEMBL16539559

SCHEMBL16539559

COc1ccccc1NC(=O)c1ccc(NC2=C(C)C(=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.65
HTT P42858 5/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
BRD4 O60885 1/20 0.54
TSHR P16473 1/20 0.54
MLYCD O95822 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
PABPC1 P11940 1/20 0.50
APOBEC3A P31941 1/20 0.50
EIF4H Q15056 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
AHR P35869 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AURKA O14965 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
SCHEMBL16540009 0.87 HTT (0.70) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539863 0.86 POLB (0.55) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539842 0.86 HTT (0.65) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539244 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539428 0.85 BRD4 (0.70) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539518 0.84 RAB9A (0.51) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16538936 0.83 LMNA (0.58) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16538985 0.82 RAB9A (0.54) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539680 0.82 BRD4 (0.56) SMN1; SMN2HTTLMNAMEN1KMT2A
SCHEMBL16539695 0.81 SMN1; SMN2 (0.75) SMN1; SMN2HTTLMNAMEN1KMT2A

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

“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.