SCHEMBL3831399

SCHEMBL3831399

O=C(CN1CCN(CC(O)CC(=O)Nc2ccccc2F)CC1)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 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
SCHEMBL3826683 0.91 L3MBTL1 (0.48) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL3829911 0.84 POLB (0.52) MEN1KMT2ACYP3A4GAACYP2D6
SCHEMBL4865875 0.83 MEN1 (0.49) MEN1KMT2ATDP1LMNAHTT
SCHEMBL3827757 0.83 MEN1 (0.63) MEN1KMT2ATDP1LMNAHTT
SCHEMBL3831429 0.80 LMNA (0.58) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL3826732 0.80 TP53 (0.50) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL3828113 0.79 MAPT (0.58) MEN1KMT2ALMNAHTTL3MBTL1
SCHEMBL4493648 0.79 HPGD (0.55) MEN1KMT2ATDP1LMNAHTT
SCHEMBL3831633 0.78 MAPT (0.65) MEN1KMT2ATDP1LMNAHTT
SCHEMBL3826897 0.78 MEN1 (0.55) MEN1KMT2AHTTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578737-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC (US) 2009-09-16 EP disclosed
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 MEN1 4263/4885KMT2A 2698/4885TDP1 3701/4885
US-20080275238-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885TDP1 3484/4885
US-20070155728-A1 Substituted Heterocyclic Compounds KCNH1, SDHA, COQ8A MEN1 2899/4885KMT2A 3029/4885TDP1 3484/4885

“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.