SCHEMBL1343091

SCHEMBL1343091

NC1=C2c3ccccc3Sc3ccccc3N2CC=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
BCHE P06276 7/20 0.37
ACHE P22303 1/20 0.37
ADRA2A P08913 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
DRD3 P35462 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.34
NPY5R Q15761 1/20 0.33

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
SCHEMBL1343638 0.75 P2RX4 (0.37) CYP2D6SETD7NPC1
SCHEMBL30171464 0.70 MAOA (0.39) MAOABCHEACHEADRA2ASLC6A2
SCHEMBL15546491 0.70 MAOA (0.39) MAOABCHEACHEADRA2ASLC6A2
SCHEMBL13504626 0.70 ALDH1A1 (0.36) MAOAALDH1A1HPGDBCHEACHE
SCHEMBL1346218 0.68 ALDH1A1 (0.37) MAOAALDH1A1HPGDBCHEACHE
SCHEMBL2849518 0.64 MAPT (0.41) MAOAALDH1A1HPGDBCHEACHE
SCHEMBL3504625 0.62 NPC1 (0.45) MAOAALDH1A1BCHEACHEADRA2A
Hydrochloric Acid SCHEMBL11189563 0.61 NPC1 (0.44) MAOAALDH1A1BCHEACHEADRA2A
SCHEMBL8038574 0.61 MAOA (0.58) MAOABCHEACHEADRA2ASLC6A2
SCHEMBL15326871 0.60 NPC1 (0.51) MAOAALDH1A1BCHEACHEADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155757-B1 NEW PROGESTERONE RECEPTOR MODULATORS MSD OSS BV (NL) 2012-10-31 EP disclosed
US-8063037-B2 Progesterone receptor modulators N. V. ORGANON (NL) 2011-11-22 US disclosed
US-20090054400-A1 NEW PROGESTERONE RECEPTOR MODULATORS N.V. ORGANON 2009-02-26 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-20090054400-A1 NEW PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 MAOA 517/4885ALDH1A1 1644/4885HPGD 410/4885

“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.