SCHEMBL2287103

SCHEMBL2287103

N=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NOX1 Q9Y5S8 1/20 0.47
HTT P42858 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
EPHX1 P07099 2/20 0.45
NLRP3 Q96P20 2/20 0.45
NLRP1 Q9C000 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45

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
SCHEMBL11236184 0.90 NPC1 (0.50) NPC1ALDH1A1MAPTKDM4ETSHR
SCHEMBL2213727 0.88 NPC1 (0.48) NPC1ALDH1A1MAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL13584911 0.88 NPC1 (0.48) NPC1ALDH1A1MAPTKDM4ETSHR
SCHEMBL12231564 0.86 ALDH1A1 (0.59) NPC1ALDH1A1MAPTKDM4ETSHR
SCHEMBL11635933 0.86 NPC1 (0.47) NPC1ALDH1A1MAPTKDM4ETSHR
Hydrochloric Acid SCHEMBL11635257 0.84 MAPT (0.57) NPC1ALDH1A1MAPTKDM4ETSHR
SCHEMBL14449056 0.84 MEN1 (0.56) NPC1ALDH1A1MAPTTSHRMEN1
SCHEMBL14058841 0.83 ALDH1A1 (0.46) NPC1ALDH1A1MAPTKDM4ETSHR
SCHEMBL11983715 0.83 EPHX1 (0.49) NPC1ALDH1A1MAPTKDM4ETSHR
4-Chlorophenylbiguanide SCHEMBL305068 0.83 NPC1 (0.53) NPC1ALDH1A1MAPTKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201688-A1 N,N'-DI-P-BROMOPHENYL GUANIDINE TREATMENT FOR STROKE AT DELAYED TIMEPOINTS UNIVERSITY OF SOUTH FLORIDA (US) 2011-08-18 US claimed
US-4507250-A OXIDATION, SALT FORMATION GESHURI LABORATORIES LTD. (IL) 1985-03-26 US disclosed
US-4486356-A BY-PRODUCT INHIBITION GESHURI LABORATORIES, LTD. (IL) 1984-12-04 US disclosed
EP-0125363-A1 Process for producing N-phosphonomethylglycine acid Geshuri Laboratories Ltd. (IL) 1984-11-21 EP disclosed
EP-0098034-A2 A process for producing n-phosphonomethylglycine derivatives and herbicidal compounds and compositions prepared thereby Geshuri Laboratories Ltd. (IL) 1984-01-11 EP 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-20110201688-A1 N,N'-DI-P-BROMOPHENYL GUANIDINE TREATMENT FOR STROKE AT DELAYED TIMEPOINTS SIGMAR1, TMEM97, HYOU1 NPC1 1663/4885ALDH1A1 3426/4885MAPT 2273/4885

“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.