SCHEMBL3608552

SCHEMBL3608552

O=C(O)N(Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1)Cc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 17/20 0.57
ALDH1A1 P00352 2/20 0.54
TSHR P16473 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL3603487 0.87 SLC6A7 (0.58) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3606615 0.77 ALDH1A1 (0.59) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3609735 0.77 ALDH1A1 (0.58) ALDH1A1KDM4E
SCHEMBL13316899 0.77 SLC6A7 (0.53) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL3576489 0.73 SLC6A7 (1.00) SLC6A7ALDH1A1TSHRL3MBTL1
SCHEMBL3604257 0.73 HDAC6 (0.52)
SCHEMBL13959037 0.71 SLC6A7 (0.67) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL13149359 0.70 SLC6A7 (0.92) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL220133 0.70 L3MBTL1 (0.74) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL95079 0.70 L3MBTL1 (0.74) SLC6A7ALDH1A1TSHRL3MBTL1KDM4E

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 SLC6A7 1931/4885ALDH1A1 370/4885TSHR 3247/4885

“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.