SCHEMBL16468475

SCHEMBL16468475

CC/C(=N/OCc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)c1ccc(OCC(=O)N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
MAPK13 O15264 1/20 0.44
MAPK9 P45984 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL16468477 1.00 FKBP1A (0.48) FKBP1AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL15554762 0.92 HTT (0.42) ALDH1A1SMN1; SMN2MAPK13MAPK9MAPK12
SCHEMBL15554763 0.92 HTT (0.42) ALDH1A1SMN1; SMN2MAPK13MAPK9MAPK12
SCHEMBL12476847 0.84 MAPK14 (0.40) ALDH1A1HPGDSMN1; SMN2MAPK13MAPK9
SCHEMBL12476844 0.84 MAPK14 (0.40) ALDH1A1HPGDSMN1; SMN2MAPK13MAPK9
SCHEMBL15543000 0.74 FKBP1A (0.55) FKBP1AALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL15543164 0.74 FKBP1A (0.55) FKBP1AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL15543002 0.74 FKBP1A (0.55) FKBP1AALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL16468364 0.74 FKBP1A (0.55) FKBP1AALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL16468222 0.72 FKBP1A (0.57) FKBP1AALDH1A1HPGDUSP2SMN1; SMN2

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
US-20150051144-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LTD (IN) 2015-02-19 US claimed
US-20150051144-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES CADILA HEALTHCARE LTD (IN) 2015-02-19 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-20150051144-A1 COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER DISEASES PCSK9, HMGCR, CETP FKBP1A 1033/4885ALDH1A1 1508/4885HPGD 847/4885

“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.