SCHEMBL1461827

SCHEMBL1461827

N#Cc1ccc(OCCN2CCNC2=O)nc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.43
HSD11B1 P28845 5/20 0.42
SCN9A Q15858 5/20 0.41
HSD11B2 P80365 2/20 0.40
SCN5A Q14524 2/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
PDK2 Q15119 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
BRD4 O60885 1/20 0.37
MCHR1 Q99705 1/20 0.36
SCN7A Q01118 1/20 0.36
NSD2 O96028 1/20 0.36
NSD3 Q9BZ95 1/20 0.36
GABRA5 P31644 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
SCHEMBL2964607 0.77 HSD11B1 (0.47) HSD11B1HSD11B2HRH3MCHR1SCN7A
SCHEMBL18362733 0.77 MCHR1 (0.56) HRH3MCHR1SCN7A
SCHEMBL18344265 0.77 ALK (0.48) ALKSCN9ABRD4MCHR1
SCHEMBL1461560 0.76 HRH2 (0.55) HRH3MCHR1SCN7A
SCHEMBL18344264 0.75 ALDH1A1 (0.56) ALKSCN9ASCN5ASCN2ASCN3A
SCHEMBL1714568 0.75 HRH3 (0.56) HRH3
SCHEMBL23581414 0.74 TBXAS1 (0.54) ALKSCN9ASCN5ASCN2ASCN3A
SCHEMBL21064986 0.72 ALK (0.40) ALKSCN9ASCN5ASCN2ASCN3A
SCHEMBL15143178 0.72 BRD4 (0.41) ALKSCN9ASCN5ASCN2ASCN3A
SCHEMBL5623643 0.71 HRH3 (0.48) ALKSCN9AHRH3NSD2NSD3

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-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 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-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL ALK 3822/4885HSD11B1 81/4885SCN9A 3794/4885

“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.