SCHEMBL2820119

SCHEMBL2820119

O=C(Cl)C(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.71
PTPN11 Q06124 2/20 0.71
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MITF O75030 1/20 0.59
HTT P42858 1/20 0.59
DHODH Q02127 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
DEGS1 O15121 1/20 0.51
CNR1 P21554 1/20 0.50
PTPN6 P29350 1/20 0.50
SMO Q99835 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL5580396 0.87 SMN1; SMN2 (0.58) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL7525873 0.83 PTPN1 (0.64) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL2823028 0.83 PTPN1 (1.00) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL6621497 0.79 PTPN1 (0.69) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL5359926 0.77 SMN1; SMN2 (0.77) PTPN1PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL8789419 0.77 PTPN1 (0.67) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL4281427 0.75 MAPT (0.70) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL171741 0.75 L3MBTL1 (0.83) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL1177104 0.75 PTPN1 (0.64) PTPN1PTPN11ALDH1A1NPC1RAB9A
SCHEMBL20557568 0.74 CNR1 (0.81) ALDH1A1CNR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4580/4885PTPN11 4588/4885ALDH1A1 969/4885

“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.