SCHEMBL16539604

SCHEMBL16539604

COc1ccc(NC(=O)c2ccc(NC3=C(C)C(=O)CC3)cc2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.69
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
TYK2 P29597 2/20 0.52
JAK2 O60674 1/20 0.52
KCNH2 Q12809 1/20 0.48
USP28 Q96RU2 1/20 0.48
MAPT P10636 2/20 0.47
AVPR2 P30518 1/20 0.47
GPR27 Q9NS67 1/20 0.47
MT-CO2 P00403 1/20 0.47
TOP1 P11387 1/20 0.47
PTGS2 P35354 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 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
SCHEMBL16539476 0.90 BRD4 (0.56) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL17910082 0.89 KMT2A (0.54) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16538970 0.88 MEN1 (0.63) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16539772 0.88 MEN1 (0.59) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16538936 0.83 LMNA (0.58) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16539241 0.83 MEN1 (0.53) BRD4MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16539937 0.83 BRD4 (0.55) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16545854 0.82 LMNA (0.52) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16539936 0.82 BRD4 (1.00) BRD4MEN1KMT2ASMN1; SMN2HTT
SCHEMBL16539695 0.82 SMN1; SMN2 (0.75) BRD4MEN1KMT2ASMN1; SMN2HTT

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 BRD4 2/4885MEN1 2502/4885KMT2A 88/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT BRD4 2/4885MEN1 2502/4885KMT2A 88/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT BRD4 2/4885MEN1 2502/4885KMT2A 88/4885

“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.