SCHEMBL4391340

SCHEMBL4391340

CCc1c(C)ccn(CC)c1=S

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
LPO P22079 1/20 0.33
CNR2 P34972 1/20 0.32
CA2 P00918 1/20 0.31
GAA P10253 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4397436 0.72 NOS2 (0.36) NOS2CNR2
SCHEMBL257509 0.71
SCHEMBL4395073 0.67 ALDH1A1 (0.34) CA2GAA
SCHEMBL19412656 0.64 NOS2 (0.48) KDM4ENOS3NOS2
SCHEMBL4388763 0.64 KDM4E (0.41) KDM4EMAPTMEN1KMT2ATDP1
SCHEMBL1835767 0.64 KDM4E (0.36) KDM4EMAPTMEN1KMT2ALPO
Hydrochloric Acid SCHEMBL3400768 0.63 KDM4E (0.35) KDM4EMAPTMEN1KMT2ALPO
SCHEMBL31347845 0.63 ALDH1A1 (0.33) KDM4EKMT2A
SCHEMBL28241979 0.63 NQO1 (0.37) KDM4EMAPTMEN1KMT2ALPO
SCHEMBL7975899 0.61 HDAC8 (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS HENKEL AG & CO. KGAA (DE) 2009-12-10 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-20090304620-A1 HAIR TREATMENT PRODUCTS COMPRISING POLYMERS ASS1, SRM, COL1A1 KDM4E 2179/4885MAPT 1499/4885MEN1 230/4885

“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.