SCHEMBL7053627

SCHEMBL7053627

CC(=Nc1cccc2cc3ccccc3cc12)c1cccc(C(C)=Nc2cccc3cc4ccccc4cc23)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.48
KDM4E B2RXH2 4/20 0.37
GAA P10253 4/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
AGTR1 P30556 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HSP90AA1 P07900 1/20 0.34
OPRK1 P41145 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
SCHEMBL7053624 1.00 SIGMAR1 (0.48) SIGMAR1KDM4EGAAALDH1A1KMT2A
SCHEMBL5358995 0.85 SIGMAR1 (0.46) SIGMAR1ALDH1A1KMT2APOLBAGTR1
SCHEMBL5354574 0.85 SIGMAR1 (0.46) SIGMAR1ALDH1A1KMT2APOLBAGTR1
Hydrochloric Acid SCHEMBL6419075 0.82 POLB (0.45) SIGMAR1KDM4EALDH1A1KMT2APOLB
Hydrochloric Acid SCHEMBL5603768 0.82 POLB (0.45) SIGMAR1KDM4EALDH1A1KMT2APOLB
SCHEMBL8091308 0.81 MAPT (0.56) SIGMAR1KDM4EGAAALDH1A1KMT2A
SCHEMBL6054984 0.81 MAPT (0.56) SIGMAR1KDM4EGAAALDH1A1KMT2A
SCHEMBL14280784 0.80 CYP1A2 (0.38) SIGMAR1KDM4EGAAALDH1A1KMT2A
SCHEMBL5354775 0.78 POLB (0.45) SIGMAR1KDM4EALDH1A1KMT2APOLB
SCHEMBL5354773 0.78 POLB (0.45) SIGMAR1KDM4EALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670434-B2 Transition metal complex SOLVAY POLYOLEFINS EUROPE-BELGIUM (SOCIETE ANONYME) (BE) 2003-12-30 US disclosed
US-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE-BELGIUM (BE) 2003-01-23 US disclosed
EP-1260515-A1 Catalytic complexes and their use for polymerizing alpha-olefins SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) 2002-11-27 EP 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-20030018147-A1 Catalytic complexes and their use for polymerizing alpha-olefins POLA1, ETFB, POLB SIGMAR1 861/4885KDM4E 3162/4885GAA 1091/4885

“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.