SCHEMBL4130614

SCHEMBL4130614

c1ccc(-c2cnc3ccc(-c4nc5cc(-c6nnn[nH]6)ccc5n4C4CCCCC4)cc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
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
KDR P35968 2/20 0.35
NPC1 O15118 1/20 0.35
PDGFRB P09619 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
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
YES1 P07947 1/20 0.34
PIM1 P11309 1/20 0.34
MAPK1 P28482 1/20 0.34
HIPK1 Q86Z02 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
SCHEMBL4134597 0.96 HDAC1 (0.37) HPGDHDAC1HDAC8HDAC6CYP11B2
SCHEMBL4131496 0.89 HDAC1 (0.37) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4129327 0.85 L3MBTL1 (0.34) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL6398862 0.84 CYP11B2 (0.38) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4137491 0.84 CYP11B2 (0.41) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL13904996 0.84 OPRK1 (0.45) HPGDHDAC1HDAC8HDAC6CYP11B2
SCHEMBL6397709 0.84 CYP11B2 (0.40) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL4116973 0.81 L3MBTL1 (0.56) HPGDHDAC1HDAC8HDAC6NPC1
SCHEMBL5797566 0.81 PRKACA (0.41) HDAC1HDAC8HDAC6CYP11B2CYP11B1
SCHEMBL13904993 0.81 OPRK1 (0.45) HPGDHDAC1HDAC8HDAC6CYP11B2

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 2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 HPGD 3746/4885HDAC1 358/4885HDAC8 693/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HPGD 3746/4885HDAC1 358/4885HDAC8 693/4885

“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.