SCHEMBL4874730

SCHEMBL4874730

N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCN1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 5/20 0.51
RXFP1 Q9HBX9 9/20 0.50
MAPT P10636 8/20 0.50
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 4/20 0.48
GAA P10253 3/20 0.48
GLA P06280 2/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TP53 P04637 4/20 0.46
THRB P10828 3/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4876966 0.85 KMT2A (0.51) MEN1KMT2AHPGDNPSR1ALDH1A1
SCHEMBL5113720 0.82 KDM4E (0.51) MEN1KMT2AKDM4ERXFP1MAPT
SCHEMBL4874362 0.74 KDM4E (0.44) MEN1KMT2AKDM4EHPGDALDH1A1
SCHEMBL4874738 0.74 MEN1 (0.46) MEN1KMT2AKDM4ERXFP1MAPT
SCHEMBL4871786 0.74 KMT2A (0.50) MEN1KMT2AKDM4EHPGDNPSR1
SCHEMBL4876508 0.72 HTR1A (0.46)
SCHEMBL7116015 0.72 HTR1A (0.53)
SCHEMBL4873836 0.72 HTR1A (0.48) MAPTHPGDNPSR1ALDH1A1L3MBTL1
SCHEMBL4878109 0.72 HTR1A (0.46)
SCHEMBL4877420 0.72 HTR1A (0.47)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US claimed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US claimed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP claimed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US claimed
US-7393845-B2 Heteroaryl derivates, their preparation and use H. LUNDBECK A/S (DK) 2008-07-01 US disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 US disclosed
EP-1399438-B1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2005-12-07 EP disclosed
US-20040248883-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2004-12-09 US disclosed
EP-1399438-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2004-03-24 EP disclosed
WO-2003002556-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2003-01-09 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 (2 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-20040248883-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR1A MEN1 2129/4885KMT2A 2062/4885KDM4E 3350/4885
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C MEN1 2778/4885KMT2A 1897/4885KDM4E 3150/4885

“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.