SCHEMBL2214969

SCHEMBL2214969

Cc1c(C(=O)O)c(Br)c(-c2ccccc2)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
PTGER1 P34995 1/20 0.41
ATM Q13315 2/20 0.40
AGTR1 P30556 3/20 0.40
TSHR P16473 2/20 0.40
PDE10A Q9Y233 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL10462636 0.89 CYP2C19 (0.42) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10462127 0.88 CYP2C19 (0.41) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL12441053 0.83 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9331283 0.83 CYP2C19 (0.42) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2215623 0.82 TSHR (0.56) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10462126 0.79 CYP2C19 (0.38) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL10463094 0.79 CYP2C19 (0.42) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL10463889 0.79 CYP2C19 (0.44) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2215150 0.79 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL2215559 0.78 ATM (0.48) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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 7 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

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 CYP1A2 196/4885CYP2C9 793/4885CYP2C19 182/4885

“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.