SCHEMBL417235

SCHEMBL417235

BrCCCc1ccc(C(OC(c2ccccc2)(c2ccccc2)c2ccc(CCCBr)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MAOB P27338 2/20 0.37
HTR2A P28223 1/20 0.37
IDO1 P14902 1/20 0.36
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MAOA P21397 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL8569403 0.80 MAOB (0.37) TDP1MAOBHTR2APTPN2PTPN1
Fluoride Ion SCHEMBL5446842 0.76 TDP1 (0.64) TDP1MAOBHTR2AIDO1SIGMAR1
SCHEMBL417236 0.76 KIF11 (0.33) TDP1KIF11
SCHEMBL81831 0.76 TDP1 (0.70) TDP1MAOBHTR2AIDO1SIGMAR1
SCHEMBL8566042 0.74 PTPN2 (0.36) TDP1MAOBPTPN2PTPN1PTPN6
SCHEMBL8573617 0.74 PTPN2 (0.40) TDP1MAOBPTPN2PTPN1PTPN6
SCHEMBL1007355 0.74 TDP1 (0.67) TDP1MAOBHTR2AIDO1SIGMAR1
Hydrochloric Acid SCHEMBL28970403 0.74 TDP1 (0.67) TDP1MAOBHTR2AIDO1MEN1
Phosphine SCHEMBL7322770 0.74 TDP1 (0.67) TDP1MAOBHTR2AIDO1SIGMAR1
Ammonia Solution, Strong SCHEMBL27512246 0.74 TDP1 (0.67) TDP1MAOBHTR2AIDO1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607348-B1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE INC (JP) 2021-03-17 EP disclosed
US-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR RENASCIENCE CO LTD (JP) 2014-10-02 US disclosed
US-8785473-B2 Plasminogen activator inhibitor-1 inhibitor RENASCIENCE CO., LTD. (JP) 2014-07-22 US disclosed
EP-2607348-A2 Plasminogen Activator Inhibitor-1 Inhibitor Renascience CO., LTD. (JP) 2013-06-26 EP disclosed
EP-2415755-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Renascience CO., LTD. (JP) 2012-02-08 EP disclosed
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor RENASCIENCE CO., LTD. (JP) 2012-01-26 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 (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-20140296256-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR SERPINE1, SERPINC1, SERPINB1 TDP1 1369/4885MAOB 1039/4885HTR2A 3594/4885
US-20120022080-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 TDP1 1369/4885MAOB 1039/4885HTR2A 3594/4885

“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.