SCHEMBL16539772

SCHEMBL16539772

CC1=C(Nc2ccc(C(=O)Nc3ccccc3)c(Cl)c2)CCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
BRD4 O60885 1/20 0.53
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
MAPT P10636 3/20 0.46
CYP2C19 P33261 1/20 0.46
GPR27 Q9NS67 8/20 0.46
AVPR2 P30518 4/20 0.46
SMO Q99835 2/20 0.44
OXTR P30559 1/20 0.43
AVPR1A P37288 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL17910082 0.92 KMT2A (0.54) MEN1KMT2ABRD4MAPTCYP2C19
SCHEMBL16539241 0.90 MEN1 (0.53) MEN1KMT2ABRD4MAPK14MAPT
SCHEMBL16539342 0.88 MAPT (0.48) MEN1KMT2ABRD4MAPK14MAPT
SCHEMBL16539485 0.88 MAPK13 (0.52) MEN1KMT2ABRD4MAPK13MAPK12
SCHEMBL16539604 0.88 BRD4 (0.69) MEN1KMT2ABRD4MAPTGPR27
SCHEMBL16539476 0.86 BRD4 (0.56) MEN1KMT2ABRD4MAPK14MAPT
SCHEMBL16539941 0.85 SMN1; SMN2 (0.49) MEN1KMT2ABRD4MAPK13MAPK12
SCHEMBL16539397 0.84 SMN1; SMN2 (0.53) MEN1KMT2ABRD4MAPK14MAPT
SCHEMBL16538936 0.84 LMNA (0.58) MEN1KMT2ABRD4MAPK13MAPK12
SCHEMBL16539710 0.84 PTGES (0.49) MEN1KMT2ABRD4MAPK13MAPK12

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

“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.