SCHEMBL2583741

SCHEMBL2583741

N=C1N(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BRD4 O60885 1/20 0.46
MEN1 O00255 1/20 0.46
MC4R P32245 1/20 0.45
ADORA2A P29274 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL1981177 0.86 CYP2D6 (0.69) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL16786536 0.81 SIGMAR1 (0.58) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL11668979 0.79 BRD4 (0.52) KMT2APOLBCYP2D6CYP2C9CYP2C19
SCHEMBL2584872 0.78 ALDH1A1 (0.55) POLBLMNASMN1; SMN2HTTRAB9A
SCHEMBL16416392 0.77 KMT2A (0.76) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL11052192 0.77 KMT2A (0.59) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL6744475 0.77 SIGMAR1 (0.54) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL29450073 0.77 KMT2A (0.76) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL246385 0.75 SIGMAR1 (0.48) SIGMAR1KMT2APOLBCYP2D6CYP2C9
SCHEMBL11744917 0.75 L3MBTL1 (0.54) SIGMAR1KMT2APOLBCYP2D6CYP2C9

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 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 1377/4885KMT2A 1686/4885POLB 4457/4885

“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.