SCHEMBL5459711

SCHEMBL5459711

CCn1ccnc1C=Cc1ccc(-c2ccc(-c3ccc(C=Cc4nccn4CC)cc3)o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
MAPKAPK2 P49137 2/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL6209010 0.79 KDM4E (0.48) KDM4EMAPTNPC1ALDH1A1GLA
SCHEMBL6209007 0.79 KDM4E (0.48) KDM4EMAPTNPC1ALDH1A1GLA
SCHEMBL28582151 0.70 KMT2A (0.36) ADRA2AADRA2BADRA2CMAPTALDH1A1
Bromide SCHEMBL28409162 0.69 KMT2A (0.35) ADRA2AADRA2BADRA2CMAPTALDH1A1
Hydrochloric Acid SCHEMBL28475833 0.69 TLR8 (0.36) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL23367993 0.69 KMT2A (0.35) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL11597308 0.67 GRM4 (0.42) KDM4EMAPTNPC1ALDH1A1RAB9A
SCHEMBL11597305 0.67 GRM4 (0.42) KDM4EMAPTNPC1ALDH1A1RAB9A
SCHEMBL6886638 0.65
SCHEMBL1206354 0.65

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-20070219246-A1 Dihydrobenzothiophenes MERCK PATENT GMBH (DE) 2007-09-20 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-20070219246-A1 Dihydrobenzothiophenes CCNT1, CCNT2, TPT1 TOP2A 177/4885TOP2B 129/4885ADRA2A 2025/4885

“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.