SCHEMBL8249156

SCHEMBL8249156

O=C(NCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1)OCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 14/20 0.54
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8239317 0.91 ALDH1A1 (0.55) SLC6A7ALDH1A1L3MBTL1TSHRRAB9A
SCHEMBL13316899 0.88 SLC6A7 (0.53) SLC6A7ALDH1A1L3MBTL1TSHRMEN1
SCHEMBL13316892 0.78 LMNA (0.61) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3615851 0.77 LMNA (0.51) RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3603487 0.76 SLC6A7 (0.58) SLC6A7ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL5593004 0.76 RAB9A (0.48) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8250477 0.76 RAB9A (0.51) RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5593007 0.76 RAB9A (0.48) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8248244 0.74 HDAC6 (0.64) RAB9A
SCHEMBL13024092 0.74 MEN1 (0.58) L3MBTL1RAB9ASMN1; SMN2MEN1KMT2A

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO 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 370/4885L3MBTL1 4823/4885

“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.