SCHEMBL16211175

SCHEMBL16211175

Nc1c(C(=O)c2ccccc2)sc2nc(-c3cccnc3)ccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.74
MAPT P10636 15/20 0.71
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
NPC1 O15118 6/20 0.71
MCL1 Q07820 4/20 0.71
PKM P14618 1/20 0.71
ALDH1A1 P00352 2/20 0.67
MAPK1 P28482 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
RAB9A P51151 4/20 0.65
KDM4E B2RXH2 4/20 0.65
POLB P06746 2/20 0.65
NFKB1 P19838 1/20 0.65
NFKB2 Q00653 1/20 0.65
RELA Q04206 1/20 0.65
TLR9 Q9NR96 4/20 0.63
RECQL P46063 2/20 0.63
LMNA P02545 1/20 0.60
PTK2B Q14289 1/20 0.60

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
SCHEMBL16209925 0.90 MAPT (0.80) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL16451140 0.90 LIMK1 (0.70) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL431577 0.85 LIMK1 (1.00) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737570 0.83 MAPT (1.00) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737716 0.79 NPC1 (0.66) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737573 0.79 MAPT (0.88) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL20370633 0.79 MAPT (1.00) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737757 0.78 MAPT (0.63) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737725 0.78 MAPT (0.79) LIMK1MAPTMEN1KMT2ANPC1
SCHEMBL19737575 0.78 MAPT (0.62) LIMK1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 WO claimed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 US claimed
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
US-9796676-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2017-10-24 US disclosed
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-20160251312-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2016-09-01 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-9357781-B2 Honeybee repellents and uses thereof INSCENT, INC. (US) 2016-06-07 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
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
WO-2014179785-A1 IMPROVED HONEYBEE REPELLENTS AND USES THEREOF INSCENT, INC. (US) 2014-11-06 WO disclosed
US-20140329674-A1 Honeybee Repellents and Uses Thereof INSCENT, INC. (US) 2014-11-06 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 (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 LIMK1 1157/4885MAPT 1877/4885MEN1 2382/4885
US-20140329674-A1 Honeybee Repellents and Uses Thereof ACHE, AHNAK, L3MBTL3 LIMK1 1157/4885MAPT 1877/4885MEN1 2382/4885

“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.