SCHEMBL5741287

SCHEMBL5741287

CC1(C)CCc2c(sc3cc(-c4cncnc4)ccc3c2=O)C1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.36
BACE1 P56817 10/20 0.34
CTSD P07339 6/20 0.34
PRKCI P41743 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.31
KCNH2 Q12809 1/20 0.31
SLC34A2 O95436 1/20 0.31
OTUD7B Q6GQQ9 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
RORC P51449 1/20 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
SCHEMBL5741883 0.88 PIK3CG (0.38) LIMK1BACE1PRKCIBACE2
SCHEMBL5738937 0.88 LIMK1 (0.40) LIMK1BACE1GABRA1GABRG2GABRB3
SCHEMBL5740852 0.84 CYP11B2 (0.40) LIMK1PRKCIRORC
SCHEMBL5738998 0.84 LIMK1 (0.34) LIMK1RORC
SCHEMBL6502371 0.84 PRMT5 (0.38) LIMK1PRKCISLC34A2
SCHEMBL5738867 0.83 ABL1 (0.40)
SCHEMBL5741185 0.83 PIK3CG (0.42) LIMK1KCNH2OTUD7B
SCHEMBL5739106 0.82 CYP11B2 (0.43)
SCHEMBL5740728 0.80 ABL1 (0.41) LIMK1PRKCI
SCHEMBL5738790 0.80 LIMK1 (0.38) LIMK1SLC34A2

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
EP-1406891-B1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2006-03-22 EP disclosed
US-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA LIMK1 4255/4885BACE1 295/4885CTSD 2009/4885

“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.