SCHEMBL2581178

SCHEMBL2581178

N=C1N(Cc2ccc(F)c(F)c2)CCCCN1Cc1ccc(F)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HTT P42858 1/20 0.62
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
CHKA P35790 1/20 0.38
KCNQ2 O43526 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL2582523 0.97 ALDH1A1 (0.57) ALDH1A1HTTDPP4DPP8MEN1
SCHEMBL2582158 0.93 ALDH1A1 (0.56) ALDH1A1HTTDPP4DPP8MEN1
SCHEMBL28192273 0.78 ALDH1A1 (0.96) ALDH1A1HTTDPP4DPP8SIGMAR1
SCHEMBL2585925 0.77 SIGMAR1 (0.49) ALDH1A1HTTSIGMAR1RAB9AKCNQ2
SCHEMBL24709815 0.77 ALDH1A1 (0.50) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL13293320 0.77 ALDH1A1 (1.00) ALDH1A1HTTDPP4DPP8SIGMAR1
Bromide SCHEMBL28904918 0.76 ALDH1A1 (0.49) ALDH1A1HTTMEN1KMT2AKDM4E
Bromide SCHEMBL30110681 0.76 ALDH1A1 (0.49) ALDH1A1HTTMEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL7401709 0.75 ALDH1A1 (0.96) ALDH1A1HTTDPP4DPP8SIGMAR1
SCHEMBL4101414 0.74 ALDH1A1 (0.89) ALDH1A1HTTDPP4DPP8SIGMAR1

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
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
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 ALDH1A1 4060/4885HTT 1288/4885DPP4 1995/4885

“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.