SCHEMBL5956434

SCHEMBL5956434

O=C(Cc1ccccn1)c1ccnc(-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.53
KDM1A O60341 2/20 0.53
PLOD2 O00469 2/20 0.48
PLOD3 O60568 2/20 0.48
PLOD1 Q02809 2/20 0.48
TGFBR1 P36897 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
BAZ2B Q9UIF8 1/20 0.45
HPGDS O60760 1/20 0.44
SCN9A Q15858 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4C Q9H3R0 1/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL5907452 0.86 HDAC1 (0.50) HDAC1KDM1APLOD2PLOD3PLOD1
SCHEMBL5956512 0.79 TGFBR1 (0.59) TGFBR1HPGDSRAB9ANPC1
SCHEMBL5956548 0.79 HDAC1 (0.48) HDAC1KDM1APLOD2PLOD3PLOD1
SCHEMBL29932837 0.78 JAK2 (0.60) HDAC1KDM1APLOD2PLOD3PLOD1
SCHEMBL5956425 0.75 HPGD (0.52) TGFBR1RAB9AALDH1A1HPGD
SCHEMBL6960733 0.74 SCN10A (0.53) RAB9AKDM4CNPC1MAPTKDM4E
SCHEMBL5907501 0.73 HDAC1 (0.47) HDAC1KDM1ATGFBR1RAB9ANPC1
SCHEMBL4388206 0.72 JAK2 (0.70) HDAC1JAK2
SCHEMBL11633917 0.72 RAB9A (0.66) RAB9ANPC1MAPTKDM4E
SCHEMBL32256 0.71 MTOR (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004051-A1 Compounds DODIC NERINA 2006-01-05 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 (1 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-20060004051-A1 Compounds SMAD3, SMAD2, TGFBR1 HDAC1 1234/4885KDM1A 2586/4885PLOD2 1780/4885

“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.