SCHEMBL9976348

SCHEMBL9976348

CCCC(=O)NCCOCCNC(=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CASP2 P42575 1/20 0.46
▸ GLP1R P43220 8/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL24297138 0.89 MEN1 (0.53) MEN1KMT2ACASP2GLP1RALDH1A1
SCHEMBL23665087 0.86 KMT2A (0.56) MEN1KMT2AGLP1R
SCHEMBL10085301 0.85 KMT2A (0.60) MEN1KMT2ASMN1; SMN2
SCHEMBL10048529 0.85 CASP2 (0.55) MEN1KMT2ACASP2HPGD
SCHEMBL12387741 0.85 KMT2A (0.69) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL24700122 0.85 CASP2 (0.44) MEN1KMT2ACASP2ALDH1A1SMN1; SMN2
SCHEMBL24002279 0.85 KMT2A (0.51) MEN1KMT2AGLP1RALDH1A1SMN1; SMN2
SCHEMBL26169621 0.85 KMT2A (0.51) MEN1KMT2AGLP1RALDH1A1HPGD
SCHEMBL18908665 0.84 KMT2A (0.59) MEN1KMT2AGLP1RSMN1; SMN2
SCHEMBL21771221 0.84 KMT2A (0.63) MEN1KMT2AGLP1RSMN1; 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-20140357569-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2014-12-04 — — US disclosed
US-20120157385-A1 CYCLOSPORIN CONJUGATES UCL BUSINESS PLC (GB) 2012-06-21 — — 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-20120157385-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 MEN1 1425/4885KMT2A 3065/4885CASP2 2496/4885
US-20140357569-A1 CYCLOSPORIN CONJUGATES CYP11B1, SHMT2, MRM1 MEN1 1363/4885KMT2A 3078/4885CASP2 2420/4885

“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.

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