SCHEMBL2287569

SCHEMBL2287569

N=C(Nc1cccc(Cl)c1)Nc1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
LMNA P02545 2/20 0.64
MAPT P10636 2/20 0.64
HTT P42858 2/20 0.64
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
IDO1 P14902 1/20 0.56
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
GAA P10253 1/20 0.51

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
Hydrochloric Acid SCHEMBL15527640 0.98 MEN1 (0.62) MEN1KMT2ALMNAMAPTHTT
SCHEMBL14449056 0.92 MEN1 (0.56) MEN1KMT2ALMNAMAPTHTT
SCHEMBL13584733 0.92 MEN1 (0.60) MEN1KMT2ALMNAMAPTHTT
SCHEMBL29518687 0.92 MEN1 (0.60) MEN1KMT2ALMNAMAPTHTT
Hydrochloric Acid SCHEMBL13584417 0.90 MEN1 (0.58) MEN1KMT2ALMNAMAPTHTT
SCHEMBL14448339 0.86 NPC1 (0.58) MEN1KMT2ALMNAMAPTHTT
SCHEMBL1229884 0.85 HTR3E (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL4682287 0.84 KMT2A (0.51) MEN1KMT2ALMNAMAPTHTT
Hydrochloric Acid SCHEMBL1320574 0.84 HTR3E (0.53) MEN1KMT2ALMNAMAPTHTT
SCHEMBL10783714 0.83 MEN1 (0.60) MEN1KMT2ALMNAMAPTHTT

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-20150051291-A1 N,N'-DI-1 NAPHTHYLGUANIDINE HCL (NAGH) AND N,N'-DI-P-NITROPHENYLGUANIDINE HCL (NAD) TREATMENT FOR STROKE AT DELAYED TIMEPOINTS UNIVERSITY OF SOUTH FLORIDA (US) 2015-02-19 US claimed
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-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-30 US disclosed
WO-2007095050-A2 N-HYDROXYGUANIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2007-08-23 WO disclosed
US-4828957-A Two-color heat-sensitive recording material with 2-hydroxy-3-naphthoanilide as both coupler and color developing agent KANZAKI PAPER MANUFACTURING COMPANY, LTD. (JP) 1989-05-09 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 (3 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-20150051291-A1 N,N'-DI-1 NAPHTHYLGUANIDINE HCL (NAGH) AND N,N'-DI-P-NITROPHENYLGUANIDINE HCL (NAD) TREATMENT FOR STROKE AT DELAYED TIMEPOINTS DCX, DBH, CHRNA9 MEN1 4327/4885KMT2A 1965/4885LMNA 862/4885
US-20070203140-A1 N-hydroxyguanidines as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT MEN1 2842/4885KMT2A 882/4885LMNA 4617/4885
US-20110201688-A1 N,N'-DI-P-BROMOPHENYL GUANIDINE TREATMENT FOR STROKE AT DELAYED TIMEPOINTS SIGMAR1, TMEM97, HYOU1 MEN1 4804/4885KMT2A 2934/4885LMNA 1199/4885

“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.