SCHEMBL16539342

SCHEMBL16539342

CC1=C(Nc2ccc(C(=O)Nc3cccc(F)c3)c(Cl)c2)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
AVPR2 P30518 1/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ENPP2 Q13822 1/20 0.46
GRM4 Q14833 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPK14 Q16539 1/20 0.42
TP53 P04637 1/20 0.42
SMO Q99835 1/20 0.41
HTT P42858 1/20 0.41
CSF1R P07333 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
NPY1R P25929 1/20 0.41

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
SCHEMBL16539241 0.89 MEN1 (0.53) MAPTBRD4SMN1; SMN2MEN1KMT2A
SCHEMBL16539772 0.88 MEN1 (0.59) MAPTAVPR2OXTRAVPR1ABRD4
SCHEMBL16539756 0.86 MAPK14 (0.48) BRD4SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL16539476 0.86 BRD4 (0.56) MAPTAVPR2BRD4SMN1; SMN2MEN1
SCHEMBL17910082 0.85 KMT2A (0.54) MAPTAVPR2BRD4SMN1; SMN2MEN1
SCHEMBL16539084 0.84 NPC1 (0.54) BRD4SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL16539485 0.81 MAPK13 (0.52) AVPR2OXTRAVPR1ABRD4SMN1; SMN2
SCHEMBL16539604 0.81 BRD4 (0.69) MAPTAVPR2BRD4SMN1; SMN2MEN1
SCHEMBL16539710 0.80 PTGES (0.49) MAPTAVPR2OXTRAVPR1ABRD4
SCHEMBL16545854 0.78 LMNA (0.52) AVPR2BRD4SMN1; SMN2MEN1KMT2A

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 MAPT 2040/4885AVPR2 1528/4885OXTR 4581/4885
US-10351511-B2 Cyclic vinylogous amides as bromodomain inhibitors BRD1, BRD4, BRDT MAPT 2040/4885AVPR2 1528/4885OXTR 4581/4885
US-20180105485-A1 CYCLIC VINYLOGOUS AMIDES AS BROMODOMAIN INHIBITORS BRD1, BRD4, BRDT MAPT 2040/4885AVPR2 1528/4885OXTR 4581/4885

“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.