SCHEMBL19366285

SCHEMBL19366285

COc1cc2c(cc1OC(=S)n1ccnc1)CCC(C(C)C)C2C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
BRD4 O60885 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NQO2 P16083 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CHRNA7 P36544 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL19366287 0.89 SMN1; SMN2 (0.37) MAOASMN1; SMN2KDM4EBRD4MEN1
SCHEMBL17538348 0.89 MAOA (0.36) MAOASMN1; SMN2MAPTHTTKDM4E
SCHEMBL17531505 0.88 SLC18A2 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL17531504 0.78 SLC18A2 (0.34) SMN1; SMN2KDM4EMEN1KMT2ANQO2
SCHEMBL17538347 0.77 SMN1; SMN2 (0.40) MAOASMN1; SMN2KDM4ETSHRBRD4
SCHEMBL19366291 0.77 MEN1 (0.33) SMN1; SMN2MAPTHTTKDM4EMEN1
SCHEMBL17531485 0.73 CYP19A1 (0.34)
SCHEMBL17538307 0.70 ACHE (0.36) SMN1; SMN2MAPTHTTMEN1KMT2A
SCHEMBL19067933 0.69 SLC18A2 (0.34)
SCHEMBL17538357 0.69 CYP19A1 (0.49) MAOASMN1; SMN2TSHRBRD4CA1

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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 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-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 MAOA 3899/4885SMN1; SMN2 106/4885MAPT 2604/4885

“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.