SCHEMBL4487892

SCHEMBL4487892

COc1ccc(CCC(O)CN2CCN(CC(=O)NCc3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ENPP2 Q13822 2/20 0.46
GFER P55789 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
CYP2D6 P10635 2/20 0.44

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
SCHEMBL4500396 0.90 LMNA (0.55) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4486172 0.89 LMNA (0.58) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4495526 0.86 LMNA (0.68) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4503367 0.86 MEN1 (0.49) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4865667 0.83 KCNH2 (0.49) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL4502773 0.82 MEN1 (0.55) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4498990 0.81 MEN1 (0.63) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4496607 0.79 LMNA (0.60) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4502993 0.77 MEN1 (0.63) LMNAMEN1KMT2AALDH1A1POLB
SCHEMBL4510340 0.77 MEN1 (0.50) LMNAMEN1KMT2AALDH1A1POLB

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 5 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
US-20040176356-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 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 (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 LMNA 2906/4885MEN1 4263/4885KMT2A 2698/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A LMNA 2300/4885MEN1 2899/4885KMT2A 3029/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A LMNA 2300/4885MEN1 2899/4885KMT2A 3029/4885

“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.