SCHEMBL6370629

SCHEMBL6370629

CNC(=O)c1ccncc1Cc1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.46
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXA2R P21731 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGDR Q13258 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
FTO Q9C0B1 2/20 0.38
KDM4C Q9H3R0 1/20 0.37
ROCK2 O75116 1/20 0.37
KDM6B O15054 1/20 0.37
ALKBH2 Q6NS38 1/20 0.37
ALKBH3 Q96Q83 1/20 0.37

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
SCHEMBL6370115 0.89 FTO (0.47) PLK1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL6276352 0.86 KDM4C (0.45) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6269745 0.85 KDM4E (0.48) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6365203 0.74 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6364445 0.74 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL28642791 0.71 PLK1 (0.44) PLK1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL6369492 0.70 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL6370612 0.70 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3
SCHEMBL22189692 0.69 L3MBTL1 (0.56) SLC6A4SLC6A3MEN1KMT2ASMN1; SMN2
SCHEMBL6869843 0.68 KDM4C (0.49) MEN1KMT2AKDM4CKDM6B

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
US-20050026920-A1 Selective serotonin re-uptake inhibitors; use in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, substance abuse disorders and sexual dysfunction PFIZER INC 2005-02-03 US disclosed
US-6800652-B2 SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER INC. 2004-10-05 US disclosed
US-20040097509-A1 Diaryl compounds PFIZER INC. 2004-05-20 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 (2 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-20040097509-A1 Diaryl compounds CCNL2, CCNI, CCNA1 PLK1 2333/4885SLC6A4 1969/4885SLC6A2 1307/4885
US-20050026920-A1 Selective serotonin re-uptake inhibitors; use in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, substance abuse disorders and sexual dysfunction SLC6A4, SLC6A2, SLC6A3 PLK1 2562/4885SLC6A4 1/4885SLC6A2 2/4885

“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.