SCHEMBL5340867

SCHEMBL5340867

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(N3CCCC3)C(C)(C)O4)CC2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
HIF1A Q16665 4/20 0.35
LMNA P02545 1/20 0.34
DPP4 P27487 4/20 0.34
HTR7 P34969 1/20 0.34
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5343639 0.99 ALDH1A1 (0.38) ALDH1A1CTSBCTSSCTSKHIF1A
SCHEMBL5344095 0.87 ALDH1A1 (0.40) ALDH1A1LMNAHTR7GAAL3MBTL1
SCHEMBL5350819 0.86 TSHR (0.41) ALDH1A1HTR7CYP3A4CYP2C19MEN1
SCHEMBL5355435 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHTR7GAARAB9A
SCHEMBL2471607 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHTR7GAARAB9A
SCHEMBL2472891 0.85 CTSB (0.37) CTSBCTSSCTSKHIF1ADPP4
SCHEMBL14492157 0.83 USP2 (0.42) ALDH1A1GAACYP2C19USP2
SCHEMBL14492155 0.82 ALDH1A1 (0.42) ALDH1A1LMNAGAAL3MBTL1MEN1
SCHEMBL14492156 0.82 ALDH1A1 (0.43) ALDH1A1LMNAHTR7L3MBTL1
Hydrochloric Acid SCHEMBL5351235 0.81 ALDH1A1 (0.41) ALDH1A1LMNAGAAL3MBTL1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 ALDH1A1 1019/4885CTSB 1488/4885CTSS 2391/4885

“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.