SCHEMBL2821977

SCHEMBL2821977

O=C(Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCN(C(=O)c2ccccc2Br)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.48
POLB P06746 1/20 0.47
PTPN1 P18031 2/20 0.47
PTPN11 Q06124 1/20 0.47
SLC1A2 P43004 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL224222 0.83 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2POLBMEN1
SCHEMBL223278 0.80 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2POLBPTPN1
SCHEMBL223399 0.80 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2POLBMEN1
SCHEMBL222369 0.80 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2POLBMEN1
SCHEMBL224214 0.80 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2POLBPTPN1
SCHEMBL11722321 0.78 ALDH1A1 (0.77) ALDH1A1LMNASMN1; SMN2POLBMEN1
SCHEMBL2818913 0.76 PTPN1 (0.47) POLBPTPN1PTPN11SLC1A2MEN1
SCHEMBL2820646 0.75 SMO (0.49) SMN1; SMN2IDO1RAB9A
SCHEMBL3764907 0.74 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2POLBMEN1
SCHEMBL225305 0.74 CHRNA7 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHTT

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US claimed
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 ALDH1A1 969/4885LMNA 2028/4885SMN1; SMN2 4076/4885

“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.