SCHEMBL4820185

SCHEMBL4820185

COc1cc(N)ccc1NC(=O)CN1CCN(C)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.67
GFER P55789 1/20 0.67
KMT2A Q03164 5/20 0.61
POLB P06746 1/20 0.59
ALDH1A1 P00352 5/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RECQL P46063 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54

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
SCHEMBL4186740 0.90 RAD52 (0.81) RAD52GFERKMT2AALDH1A1LMNA
SCHEMBL14045220 0.83 KMT2A (0.58) KMT2APOLBALDH1A1LMNASMN1; SMN2
SCHEMBL1644843 0.82 L3MBTL1 (0.79) KMT2APOLBALDH1A1LMNASMN1; SMN2
SCHEMBL4821742 0.81 ALDH1A1 (0.83) KMT2AALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL16097533 0.77 RAD52 (0.80) RAD52GFERKMT2APOLBALDH1A1
SCHEMBL15244521 0.77 PGK1 (0.48) RAD52GFERLMNAL3MBTL1MAPT
SCHEMBL4493406 0.77 KMT2A (0.52) KMT2APOLBALDH1A1LMNASMN1; SMN2
SCHEMBL1409602 0.76 LMNA (0.65) KMT2APOLBALDH1A1LMNASMN1; SMN2
SCHEMBL13102353 0.76 LMNA (0.72) RAD52GFERKMT2AALDH1A1LMNA
SCHEMBL4213802 0.76 ALDH1A1 (0.65) RAD52GFERKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
US-7442698-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2008-10-28 US disclosed
EP-1682531-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-07-26 EP disclosed
US-20050107374-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-05-19 US disclosed
WO-2005042518-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-05-12 WO disclosed
US-20050026914-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-02-03 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-20050026914-A1 Substituted heterocyclic compounds and methods of use NFATC1, ICOS, BET1 RAD52 1200/4885GFER 2132/4885KMT2A 3699/4885
US-20050107374-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 RAD52 751/4885GFER 1514/4885KMT2A 3518/4885

“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.