SCHEMBL2211020

SCHEMBL2211020

Cc1c(C(=O)O)cc(-c2ccccc2)n1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.67
PTGS2 P35354 3/20 0.62
PLK1 P53350 1/20 0.60
ALDH1A1 P00352 1/20 0.55
CHRNA7 P36544 3/20 0.54
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
SLC6A4 P31645 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MYC P01106 1/20 0.48

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
SCHEMBL4638659 0.94 NOTUM (0.70) NOTUMPTGS2PLK1ALDH1A1CHRNA7
SCHEMBL2449412 0.90 PLK1 (0.73) NOTUMPTGS2PLK1ALDH1A1CHRNA7
SCHEMBL27512288 0.86 NOTUM (0.71) NOTUMPTGS2PLK1ALDH1A1
SCHEMBL5922325 0.86 NOTUM (0.67) NOTUMPLK1ALDH1A1CHRNA7
SCHEMBL27535987 0.86 PLK1 (0.60) NOTUMPTGS2PLK1ALDH1A1CHRNA7
SCHEMBL4265653 0.83 PLK1 (0.58) NOTUMPLK1ALDH1A1CHRNA7MEN1
SCHEMBL4265600 0.83 PLK1 (0.58) NOTUMPTGS2PLK1ALDH1A1CHRNA7
SCHEMBL4272028 0.82 PLK1 (0.53) NOTUMPTGS2PLK1ALDH1A1CHRNA7
SCHEMBL1979515 0.80 NOTUM (1.00) NOTUMALDH1A1
SCHEMBL16403258 0.79 NOTUM (0.70) NOTUMPLK1ALDH1A1CHRNA7

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 NOTUM 2246/4885PTGS2 1136/4885PLK1 4298/4885

“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.