SCHEMBL2584872

SCHEMBL2584872

N=C1N(Cc2ccc(F)cc2)CCN1Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 2/20 0.54
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.42
HDAC1 Q13547 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM2 Q14416 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
SCHEMBL2582158 0.79 ALDH1A1 (0.56) ALDH1A1HTTNPC1KDM4E
SCHEMBL2583741 0.78 SIGMAR1 (0.54) ALDH1A1POLBRAB9AHTTLMNA
SCHEMBL24709607 0.77 ALDH1A1 (0.67) ALDH1A1POLBRAB9AHTTLMNA
Bromide SCHEMBL31141385 0.76 ALDH1A1 (0.65) ALDH1A1POLBRAB9AHTTLMNA
SCHEMBL2580263 0.75 SMN1; SMN2 (0.56) POLBRAB9AHTTLMNASMN1; SMN2
SCHEMBL8117468 0.73 MAPT (0.67) MAPTKDM4E
SCHEMBL28801601 0.72 ALDH1A1 (0.61) ALDH1A1POLBRAB9AHTTLMNA
SCHEMBL2581178 0.72 ALDH1A1 (0.62) ALDH1A1RAB9AHTTSMN1; SMN2KDM4E
SCHEMBL2582523 0.72 ALDH1A1 (0.57) ALDH1A1RAB9AHTTNPC1KDM4E
SCHEMBL31474229 0.71 ALDH1A1 (1.00) ALDH1A1POLBRAB9AHTTSMN1; SMN2

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 ALDH1A1 4060/4885POLB 4457/4885RAB9A 1516/4885

“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.