SCHEMBL2819210

SCHEMBL2819210

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

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
CYP19A1 P11511 6/20 0.66
ALDH1A1 P00352 3/20 0.66
PTPN1 P18031 1/20 0.59
PTPN11 Q06124 1/20 0.59
HPGD P15428 3/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 1/20 0.53
GPR35 Q9HC97 1/20 0.53
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51

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
SCHEMBL11608031 0.93 MAPT (0.75) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL2488639 0.90 MAPT (0.70) MAPTCYP19A1ALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL7020139 0.88 MAPT (0.68) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL11408843 0.88 MAPT (0.83) MAPTCYP19A1ALDH1A1HPGDPOLB
SCHEMBL16562196 0.84 CYP19A1 (0.75) MAPTCYP19A1ALDH1A1HPGDKMT2A
SCHEMBL11536521 0.84 HPGD (0.73) MAPTCYP19A1ALDH1A1HPGDKDM4E
SCHEMBL11079563 0.83 RAB9A (0.71) MAPTALDH1A1PTPN1PTPN11HPGD
SCHEMBL11538852 0.83 MAPT (0.61) MAPTCYP19A1ALDH1A1HPGDKMT2A
SCHEMBL11538848 0.83 MAPT (0.61) MAPTCYP19A1ALDH1A1HPGDKMT2A
SCHEMBL10557875 0.83 MAPT (0.75) MAPTCYP19A1ALDH1A1HPGDPOLB

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 6 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
US-4137325-A Antisecretory oxamic acid esters AMERICAN HOME PRODUCTS CORPORATION (US) 1979-01-30 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 MAPT 3595/4885CYP19A1 867/4885ALDH1A1 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.