SCHEMBL6703537

SCHEMBL6703537

CNCc1ccc(-c2cnns2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
NOS1 P29475 4/20 0.38
PRMT6 Q96LA8 5/20 0.37
EPHX2 P34913 1/20 0.37
PRKACA P17612 1/20 0.36
PRKACG P22612 1/20 0.36
PRKACB P22694 1/20 0.36
AKT2 P31751 1/20 0.36
NOS3 P29474 3/20 0.36
PRKCI P41743 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
RUNX1 Q01196 2/20 0.35
CBFB Q13951 2/20 0.35

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
SCHEMBL10163319 0.80 METAP2 (0.41) MAPTALDH1A1GAAHPGDHTT
SCHEMBL1145924 0.78 HRH3 (0.50) ADRB2LOXL2MAPTAKT2ALDH1A1
SCHEMBL12158655 0.77 ALDH1A1 (0.38) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6742050 0.77 ALDH1A1 (0.38) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6742841 0.77 ALDH1A1 (0.42) MAPTALDH1A1GAAHPGDHTT
SCHEMBL10131071 0.76 MAPT (0.38) MAPTALDH1A1GAAHPGDHTT
SCHEMBL6740529 0.74 ALDH1A1 (0.41) MAPTKDM4ECYP3A4ALDH1A1GAA
SCHEMBL13184538 0.72 KDM4E (0.59) ADRB2LOXL2MAPTKDM4ECYP3A4
SCHEMBL6721322 0.70 ALDH1A1 (0.41) MAPTALDH1A1GAAHPGDHTT
SCHEMBL9133922 0.70 MAPT (0.60) MAPTALDH1A1GAAHPGDHTT

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 ADRB2 4380/4885LOXL2 3557/4885MAPT 4785/4885

“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.