SCHEMBL5651024

SCHEMBL5651024

c1ccc(-c2nnnn2CSN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ HSD11B1 P28845 2/20 0.45
▸ P2RX7 Q99572 3/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ RGS12 O14924 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL5651101 0.79 CYP2D6 (0.54) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL5651126 0.71 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL5651575 0.70 ALDH1A1 (0.57) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL10635287 0.68 ALDH1A1 (0.68) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL12761225 0.68 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL1154434 0.68 ALDH1A1 (0.62) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL5966693 0.67 ALDH1A1 (0.74) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL4403732 0.66 P2RX7 (0.81) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL4408289 0.65 ALDH1A1 (0.71) ALDH1A1HTTPOLBHSD11B1P2RX7
SCHEMBL8055077 0.65 ALDH1A1 (0.68) ALDH1A1HTTPOLBHSD11B1P2RX7

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-20070161691-A1 Modified-protein formation inhibitor TOKAI UNIVERSITY (JP) 2007-07-12 — — US disclosed
EP-1690857-A1 MODIFIED-PROTEIN FORMATION INHIBITOR TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2006-08-16 — — 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-20070161691-A1 Modified-protein formation inhibitor PTMS, ALB, AGER ALDH1A1 3045/4885HTT 3067/4885POLB 4309/4885

“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.

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