SCHEMBL8235398

SCHEMBL8235398

Fc1ccc(CNCCNCc2ccc(F)c(F)c2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
CHRM2 P08172 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MC4R P32245 2/20 0.44
MC5R P33032 2/20 0.44
KDM1A O60341 1/20 0.44
CYP2C9 P11712 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MC3R P41968 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2854317 0.88 SMN1; SMN2 (0.46) CARM1PRMT6CHRM2CYP1A2CYP2D6
SCHEMBL4409223 0.86 HTT (0.41) CARM1PRMT6CHRM2CYP1A2CYP2D6
SCHEMBL13966247 0.83 CARM1 (0.40) CARM1PRMT6CHRM2CYP1A2CYP2D6
SCHEMBL21066534 0.83 SMN1; SMN2 (0.46) CARM1PRMT6CYP1A2CYP2D6CYP2C19
SCHEMBL13206205 0.83 LMNA (0.44) CARM1PRMT6KDM1AHDAC3HDAC1
SCHEMBL5940081 0.82 HDAC3 (0.47) HDAC3HDAC1HDAC2HDAC8ALDH1A1
SCHEMBL17660258 0.78 LMNA (0.40) CARM1PRMT6CYP1A2CYP2D6MEN1
SCHEMBL2080659 0.78 PYCR1 (0.55) CARM1PRMT6KDM1AHDAC3HDAC1
SCHEMBL1585868 0.77 KDM1A (0.44) CARM1PRMT6CYP3A4KDM1AALDH1A1
SCHEMBL18539283 0.77 CYP3A4 (0.45) CYP1A2CYP3A4KMT2AKDM1AALDH1A1

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-8048877-B2 Guanidine derivatives and their medical use NEUROSEARCH A/S (DK) 2011-11-01 US disclosed
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
US-20090099208-A1 NOVEL GUANIDINE DERIVATIVES AND THEIR MEDICAL USE ACESION PHARMA APS (DK) 2009-04-16 US 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 CARM1 2081/4885PRMT6 1161/4885CHRM2 427/4885

“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.