SCHEMBL5740480

SCHEMBL5740480

CC1(C)CCc2c(sc3cc(-c4cccs4)ccc3c2=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.37
KCNH2 Q12809 1/20 0.35
SLC6A11 P48066 1/20 0.35
PRKDC P78527 2/20 0.34
HDAC1 Q13547 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC3 O15379 5/20 0.33
CHEK1 O14757 2/20 0.33
BUB1 O43683 1/20 0.33
SRD5A1 P18405 1/20 0.33
PGR P06401 2/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL5738602 0.86 SLC6A11 (0.33) KIF11KCNH2SLC6A11PRKDCHDAC1
SCHEMBL5741718 0.80 SMN1; SMN2 (0.44) KCNH2SLC6A11PRKDCHDAC1HDAC2
SCHEMBL5741287 0.79 LIMK1 (0.36) KCNH2
SCHEMBL5738937 0.78 LIMK1 (0.40)
SCHEMBL5740146 0.78 PGR (0.44) CHEK1PGR
SCHEMBL5740233 0.77 LIMK1 (0.40) KIF11ALDH1A1HPGD
SCHEMBL5738947 0.77 LIMK1 (0.35) KIF11HSD17B10
SCHEMBL5741883 0.76 PIK3CG (0.38)
SCHEMBL6502371 0.76 PRMT5 (0.38)
SCHEMBL5740727 0.75 KIF11 (0.40) KIF11PRKDCHDAC1HDAC2HDAC3

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 4 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
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 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 (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 KIF11 2553/4885KCNH2 1708/4885SLC6A11 1477/4885

“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.