SCHEMBL16211012

SCHEMBL16211012

c1ccn(-c2ncnc3sc4c(c23)CCCC4)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 1.00
TSHR P16473 6/20 1.00
HTT P42858 7/20 0.71
KDM4E B2RXH2 4/20 0.71
HSD17B10 Q99714 4/20 0.71
MAPK1 P28482 5/20 0.62
DRD2 P14416 1/20 0.61
HPGD P15428 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
LIMK1 P53667 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 4/20 0.56

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
SCHEMBL15426148 0.81 ALDH1A1 (0.95) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL10237222 0.81 HTT (0.82) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL13641084 0.79 HTT (0.80) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL13164948 0.77 HTT (0.75) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL7661912 0.76 DRD2 (1.00) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL16751404 0.73 LIMK1 (1.00) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL923855 0.73 LIMK1 (0.66) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL12407778 0.73 LIMK1 (0.66) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL735589 0.73 LIMK1 (0.66) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL13164908 0.72 MAPK1 (0.57) ALDH1A1TSHRHTTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 US disclosed
US-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 US disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 US disclosed
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 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 (2 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-20160251312-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ALDH1A1 2033/4885TSHR 3237/4885HTT 1395/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 ALDH1A1 2033/4885TSHR 3237/4885HTT 1395/4885

“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.