SCHEMBL2820759

SCHEMBL2820759

Cc1cc(-c2[c]nn[nH]2)no1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.36
HTT P42858 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.31
NR1I2 O75469 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5085988 0.68 RAB9A (0.39) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL1445307 0.65
SCHEMBL2820761 0.65 RAB9A (0.40) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL12442693 0.64 KDM4E (0.40) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL4407637 0.63 RAB9A (0.38) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL1030526 0.63 RAB9A (0.38) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL562246 0.63 RAB9A (0.53) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL16481949 0.63 RAB9A (0.49) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL4484700 0.61 RAB9A (0.44) HPGDMAPK1APOBEC3GRAB9ANPC1
SCHEMBL6050859 0.61

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 2 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
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 HPGD 503/4885MAPK1 4118/4885APOBEC3G 3017/4885

“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.