SCHEMBL2585925

SCHEMBL2585925

N=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.49
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.40
CLPP Q16740 1/20 0.40
P2RX7 Q99572 1/20 0.38
DRD4 P21917 1/20 0.38
PKM P14618 1/20 0.37
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ROCK2 O75116 1/20 0.36
POLB P06746 1/20 0.35
KCNQ2 O43526 1/20 0.35

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
SCHEMBL2582158 0.83 ALDH1A1 (0.56) SIGMAR1ALDH1A1HTTCLPPROCK2
SCHEMBL2581178 0.77 ALDH1A1 (0.62) SIGMAR1ALDH1A1HTTRAB9AKCNQ2
SCHEMBL2582523 0.77 ALDH1A1 (0.57) SIGMAR1ALDH1A1HTTRAB9ADRD4
SCHEMBL16226483 0.69 ALDH1A1 (0.69) SIGMAR1ALDH1A1HTTDRD4POLB
SCHEMBL24709815 0.69 ALDH1A1 (0.50) ALDH1A1HTTPOLB
SCHEMBL11174174 0.69 SIGMAR1 (1.00) SIGMAR1RAB9APOLB
Bromide SCHEMBL28904918 0.68 ALDH1A1 (0.49) ALDH1A1HTTPOLB
Bromide SCHEMBL30110681 0.68 ALDH1A1 (0.49) ALDH1A1HTTPOLB
SCHEMBL2583069 0.68 NOD1 (0.43) SIGMAR1ALDH1A1HTTCLPPPOLB
SCHEMBL2583741 0.68 SIGMAR1 (0.54) SIGMAR1ALDH1A1HTTRAB9ADRD4

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 8 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
EP-2001853-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-12-17 EP claimed
WO-2007110363-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-10-04 WO 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
EP-2001853-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE NeuroSearch A/S (DK) 2008-12-17 EP disclosed
WO-2007110363-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-10-04 WO 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 SIGMAR1 1377/4885ALDH1A1 4060/4885HTT 1288/4885

“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.