SCHEMBL13925211

SCHEMBL13925211

C=C1CN(C(=O)OC(C)(C)C)CCCN(Cc2ccccc2)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CD4 P01730 2/20 0.47
▸ SORT1 Q99523 1/20 0.47
▸ HSD11B1 P28845 1/20 0.45
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPFFR1 Q9GZQ6 1/20 0.44
▸ NPFFR2 Q9Y5X5 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL8210703 0.88 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNA
SCHEMBL2862442 0.82 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL18608789 0.81 MEN1 (0.58) KMT2AMEN1
SCHEMBL14239934 0.81 MEN1 (0.50) KMT2AMEN1MAPK1
SCHEMBL27045311 0.81 USP2 (0.52) KMT2AMEN1ALDH1A1TSHROPRD1
SCHEMBL19706413 0.81 HPGD (0.49) KMT2AMEN1ALDH1A1TSHROPRD1
SCHEMBL327031 0.80 L3MBTL1 (0.47) KMT2AMEN1OPRD1OPRK1MAPK1
SCHEMBL20274773 0.79 TP53 (0.50) KMT2AMEN1TSHRGPR119
SCHEMBL3863834 0.79 KMT2A (0.63) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL17624335 0.78 CYP2D6 (0.47) KMT2AMEN1ALDH1A1LMNANPFFR1

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-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 — — US disclosed
US-20090048222-A1 Triaza Compound Immunoregulatory Agents BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO 2009-02-19 — — 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-20090048222-A1 Triaza Compound Immunoregulatory Agents CD4, NFATC1, IKZF3 CD4 1/4885SORT1 4792/4885HSD11B1 2740/4885

“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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