SCHEMBL2213593

SCHEMBL2213593

CCOC(=O)c1c(C)[nH]c(-c2ccccc2)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
ALDH1A1 P00352 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 4/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
GAA P10253 3/20 0.54
MAPK10 P53779 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 2/20 0.53
TDP2 O95551 1/20 0.53
NSD2 O96028 1/20 0.53
THRB P10828 1/20 0.53
XBP1 P17861 1/20 0.53
GALK1 P51570 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL1156244 0.85 SMN1; SMN2 (0.65) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL31567905 0.84 ALDH1A1 (0.62) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL31567904 0.84 ALDH1A1 (0.62) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL13399215 0.83 MAPT (0.54) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1156774 0.83 MAPT (0.54) MAPTALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL11463651 0.82 MAPT (0.53) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL31567903 0.78 LMNA (0.72) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL31567898 0.78 LMNA (0.72) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL30482846 0.77 ALDH1A1 (0.76) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1126706 0.75 ALDH1A1 (0.62) MAPTALDH1A1KMT2AKDM4EMEN1

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
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed
WO-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 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 (1 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R MAPT 2604/4885ALDH1A1 464/4885KMT2A 550/4885

“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.