SCHEMBL6700780

SCHEMBL6700780

[CH2]NCc1ccc(-c2ncccn2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.47
CYP2A6 P11509 7/20 0.42
CYP2C19 P33261 5/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2E1 P05181 3/20 0.42
CYP2B6 P20813 3/20 0.42
PRKCI P41743 1/20 0.40
SLC5A2 P31639 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 2/20 0.33
HDAC3 O15379 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL6700784 0.82 PRKCI (0.60) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL6851763 0.76 HDAC1 (0.41) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL10160999 0.76 HDAC1 (0.43) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL6698000 0.76 CYP2A6 (0.56) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL10130682 0.71 HDAC1 (0.40) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL6877257 0.70 HDAC1 (0.42) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL27612769 0.69 HDAC1 (0.45) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL13514034 0.68 SLC5A2 (0.37) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL27594383 0.67 HDAC1 (0.40) HDAC1CYP2A6CYP2C19CYP2D6CYP2C9
SCHEMBL11996764 0.66 HDAC1 (0.48) HDAC1SLC5A2KDM4EMAPTNPC1

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-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 US claimed
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 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-20040014687-A1 Macrolide antibacterial compounds MRPL21, NOP2, PIGS HDAC1 79/4885CYP2A6 122/4885CYP2C19 165/4885

“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.