SCHEMBL4868469

SCHEMBL4868469

Cc1nc(SCCN2CCN(c3cccc4c3OC(Cl)CN4)CC2)c(C#N)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
POLQ O75417 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
PSMD14 O00487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 3/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 5/20 0.33
HTR2A P28223 2/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4868294 0.75 THRB (0.39) THRBPOLQMEN1KMT2ALMNA
SCHEMBL4868514 0.73 HTR1A (0.41) THRBPOLQMEN1KMT2ALMNA
SCHEMBL4876966 0.64 KMT2A (0.51) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL5111108 0.64 GAA (0.47) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4877420 0.64 HTR1A (0.47) HTR1A
SCHEMBL6177796 0.63 MEN1 (0.38) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4876785 0.62 ALDH1A1 (0.45) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4873209 0.62 KMT2A (0.39) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL4868483 0.62 ALDH1A1 (0.45) MEN1KMT2ALMNAPSMD14ALDH1A1
SCHEMBL5123581 0.62 GAA (0.46) MEN1KMT2ALMNAPSMD14ALDH1A1

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 2 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 disclosed
US-20080027071-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2008-01-31 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-20080027071-A1 Novel heteroaryl derivatives, their preparation and use GRIN2C, GRIN2B, HTR2C THRB 713/4885POLQ 2139/4885MEN1 2778/4885

“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.