SCHEMBL4134597

SCHEMBL4134597

c1ccc(-c2cnc3cc(-c4nc5cc(-c6nnn[nH]6)ccc5n4C4CCCCC4)ccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP11B2 P19099 7/20 0.37
CYP11B1 P15538 3/20 0.37
TLR9 Q9NR96 1/20 0.36
NPC1 O15118 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL4130614 0.96 HPGD (0.38) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4131496 0.89 HDAC1 (0.37) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4137491 0.88 CYP11B2 (0.41) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4129327 0.85 L3MBTL1 (0.34) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL6398862 0.84 CYP11B2 (0.38) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL13904993 0.84 OPRK1 (0.45) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL6397709 0.84 CYP11B2 (0.40) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL5797566 0.83 PRKACA (0.41) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4131531 0.81 L3MBTL1 (0.56) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL6401070 0.81 KDM4E (0.38) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 HDAC1 358/4885HDAC8 693/4885HDAC6 330/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HDAC1 358/4885HDAC8 693/4885HDAC6 330/4885

“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.