SCHEMBL1951979

SCHEMBL1951979

NCCCCCC(=O)NCc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
TPSAB1 Q15661 2/20 0.59
SELL P14151 2/20 0.58
SELP P16109 2/20 0.58
SELE P16581 2/20 0.58
CYP3A4 P08684 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
GAA P10253 1/20 0.54
EPHX2 P34913 1/20 0.54
MMP2 P08253 1/20 0.53
LMNA P02545 1/20 0.51
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50
HDAC10 Q969S8 3/20 0.50
HDAC11 Q96DB2 3/20 0.50

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
SCHEMBL11434850 0.86 MEN1 (0.83) KMT2AMEN1TPSAB1CYP3A4GAA
SCHEMBL14623873 0.86 MEN1 (0.83) KMT2AMEN1TPSAB1CYP3A4GAA
SCHEMBL9787431 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL21998923 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL9787405 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL9787358 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL9787410 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL10741431 0.85 EPHX2 (0.75) KMT2AMEN1EPHX2HDAC3HDAC4
SCHEMBL19865073 0.84 TPSAB1 (0.63) KMT2AMEN1TPSAB1CYP3A4CA1
SCHEMBL8499126 0.84 MEN1 (0.80) KMT2AMEN1TPSAB1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012067670-A1 IRINOTECAN IMMUNOASSAY SALADAX BIOMEDICAL INC. (US) 2012-05-24 WO disclosed
US-20110165699-A1 IRINOTECAN IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-07-07 US disclosed
WO-2011071672-A1 IRINOTECAN IMMUNOASSAY SALADAX BIOMEDICAL INC. (US) 2011-06-16 WO disclosed
US-20110136253-A1 Irinotecan Immunoassay SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2011-06-09 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 (2 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-20110165699-A1 IRINOTECAN IMMUNOASSAY SI, TOP2A, TYMP KMT2A 3709/4885MEN1 3394/4885TPSAB1 531/4885
US-20110136253-A1 Irinotecan Immunoassay SI, TOP2A, TYMP KMT2A 3709/4885MEN1 3394/4885TPSAB1 531/4885

“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.