SCHEMBL3595870

SCHEMBL3595870

NCc1ccccc1C=S

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
DPP4 P27487 3/20 0.41
LOXL2 Q9Y4K0 2/20 0.35
TAAR1 Q96RJ0 6/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL28764608 0.83 DPP4 (0.52) PNMTDPP4LOXL2KDM4ESMN1; SMN2
SCHEMBL3146119 0.76 LMNA (0.55) PNMTDPP4LOXL2CYP2A6KDM4E
SCHEMBL16542794 0.76 PNMT (0.44) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL263092 0.76 PNMT (0.44) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL8594383 0.76 GABRA1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL16935678 0.76 PNMT (0.44) PNMTDPP4LOXL2TAAR1CYP2A6
SCHEMBL28764723 0.74 DPP4 (0.38) PNMTDPP4TAAR1KDM4E
SCHEMBL7518396 0.74 PNMT (0.43) PNMTDPP4LOXL2TAAR1CYP2A6
Hydrochloric Acid SCHEMBL8011172 0.74 PNMT (0.43) PNMTDPP4LOXL2TAAR1CYP2A6
Hydrochloric Acid SCHEMBL8833450 0.74 LMNA (0.52) PNMTDPP4LOXL2KDM4ESMN1; SMN2

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
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
EP-1951689-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2008-08-06 EP disclosed
WO-2007056046-A1 P2X7 RECEPTOR ANTAGONISTS AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-05-18 WO disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 PNMT 3312/4885DPP4 816/4885LOXL2 3946/4885

“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.