SCHEMBL2580263

SCHEMBL2580263

N=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
SIGMAR1 Q99720 8/20 0.54
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
MAPT P10636 1/20 0.51
DRD3 P35462 1/20 0.49
KCNH2 Q12809 1/20 0.49
KMT2A Q03164 1/20 0.46
IDO1 P14902 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL24709289 0.80 SMN1; SMN2 (0.50) SMN1; SMN2POLBSIGMAR1LMNARAB9A
Bromide SCHEMBL31141380 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBSIGMAR1LMNARAB9A
SCHEMBL8924899 0.75 DRD3 (0.60) SMN1; SMN2POLBSIGMAR1LMNADRD3
SCHEMBL2584872 0.75 ALDH1A1 (0.55) SMN1; SMN2POLBLMNARAB9ANPC1
SCHEMBL2582158 0.74 ALDH1A1 (0.56) SIGMAR1NPC1HTTKMT2A
SCHEMBL2583741 0.74 SIGMAR1 (0.54) SMN1; SMN2POLBSIGMAR1LMNARAB9A
SCHEMBL11730441 0.74 MAPT (0.65) SMN1; SMN2POLBSIGMAR1MAPTDRD3
SCHEMBL6795896 0.73 POLB (0.96) SMN1; SMN2POLBSIGMAR1HTTCYP1A2
SCHEMBL13293705 0.72 POLB (1.00) SMN1; SMN2POLBSIGMAR1HTTCYP1A2
SCHEMBL24023501 0.72 POLB (1.00) SMN1; SMN2POLBSIGMAR1HTTCYP1A2

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-8048877-B2 Guanidine derivatives and their medical use NEUROSEARCH A/S (DK) 2011-11-01 US claimed
US-20090099208-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE ACESION PHARMA APS (DK) 2009-04-16 US claimed
US-8048877-B2 Guanidine derivatives and their medical use NEUROSEARCH A/S (DK) 2011-11-01 US disclosed
US-20090099208-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE ACESION PHARMA APS (DK) 2009-04-16 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-20090099208-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE KCNN2, KCNN1, KCNN3 SMN1; SMN2 1464/4885POLB 4457/4885SIGMAR1 1377/4885

“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.