SCHEMBL16539485

SCHEMBL16539485

CC1=C(Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 7/20 0.52
MAPK12 P53778 7/20 0.52
MAPK11 Q15759 7/20 0.52
MAPK14 Q16539 7/20 0.52
BRD4 O60885 1/20 0.48
GPR27 Q9NS67 1/20 0.47
AVPR2 P30518 1/20 0.46
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMO Q99835 1/20 0.45
RORC P51449 1/20 0.44
TP53 P04637 1/20 0.44
CHRNA7 P36544 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL16539772 0.88 MEN1 (0.59) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL16538936 0.88 LMNA (0.58) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL16539710 0.88 PTGES (0.49) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL16539464 0.85 SMN1; SMN2 (0.54) MAPK14BRD4MEN1KMT2ALMNA
SCHEMBL17910082 0.84 KMT2A (0.54) BRD4GPR27AVPR2MEN1KMT2A
SCHEMBL16539241 0.83 MEN1 (0.53) MAPK14BRD4MEN1KMT2ASMO
SCHEMBL16539863 0.82 POLB (0.55) MAPK14BRD4MEN1KMT2ATP53
SCHEMBL16539668 0.81 BRD4 (0.59) MAPK13MAPK12MAPK11MAPK14BRD4
SCHEMBL16539841 0.81 ALDH1A1 (0.53) MAPK14BRD4MEN1KMT2ATP53
SCHEMBL16539342 0.81 MAPT (0.48) MAPK14BRD4AVPR2OXTRAVPR1A

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 MAPK13 2524/4885MAPK12 2083/4885MAPK11 1952/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT MAPK13 2524/4885MAPK12 2083/4885MAPK11 1952/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT MAPK13 2524/4885MAPK12 2083/4885MAPK11 1952/4885

“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.