SCHEMBL3699223

SCHEMBL3699223

O=C(Cl)CSC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.30
GBA1 P04062 2/20 0.30

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
SCHEMBL20173448 0.98 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL3706423 0.78 KMT2A (0.43) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL24564744 0.76 KMT2A (0.46) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL979441 0.76 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL1200818 0.76 KMT2A (0.46) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL6701787 0.76 ALDH1A1 (0.41) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL13934134 0.74 ALDH1A1 (0.47) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL11266483 0.74 ALDH1A1 (0.44) ALDH1A1HPGDL3MBTL1RAB9AMAPK1
SCHEMBL15936611 0.71
SCHEMBL996829 0.70 ALDH1A1 (0.38) ALDH1A1HPGDL3MBTL1RAB9AMAPK1

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-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 ALDH1A1 1773/4885HPGD 2576/4885L3MBTL1 1819/4885

“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.