SCHEMBL4490433

SCHEMBL4490433

COc1ccc(CC(O)CN2CCN(CC(=O)NCCc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
ALDH1A1 P00352 1/20 0.63
POLB P06746 1/20 0.63
LMNA P02545 4/20 0.57
CYP2D6 P10635 2/20 0.53
PTPN1 P18031 1/20 0.52
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.50
ABCB1 P08183 2/20 0.49

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
SCHEMBL4498990 0.92 MEN1 (0.63) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4491381 0.90 LMNA (0.70) KMT2AMEN1LMNACYP2D6
SCHEMBL4495526 0.84 LMNA (0.68) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4865941 0.83 ABCB1 (0.61) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4511466 0.82 MEN1 (0.54) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4865986 0.82 KCNH2 (0.66) LMNACYP2D6ABCB1
SCHEMBL4502993 0.81 MEN1 (0.63) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL4496607 0.80 LMNA (0.60) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL6284296 0.78 CYP2D6 (0.64) KMT2AMEN1ALDH1A1LMNACYP2D6
SCHEMBL4500396 0.78 LMNA (0.55) KMT2AMEN1ALDH1A1POLBLMNA

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-7566717-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2009-07-28 US disclosed
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS PALLE VENKATA 2008-11-06 US disclosed
US-20070155728-A1 Substituted Heterocyclic Compounds PALLE VENKATA 2007-07-05 US disclosed
US-7205303-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
EP-1578737-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-09-28 EP disclosed
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004063180-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. (US) 2004-07-29 WO 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 (3 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-20040176356-A1 Substituted heterocyclic compounds KCNH1, KCNJ2, SCN5A KMT2A 2698/4885MEN1 4263/4885ALDH1A1 215/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A KMT2A 3029/4885MEN1 2899/4885ALDH1A1 281/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A KMT2A 3029/4885MEN1 2899/4885ALDH1A1 281/4885

“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.