SCHEMBL4778232

SCHEMBL4778232

Cc1nc2c(C(=O)NCC3CCCO3)cnn2c(C)c1Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.61
LMNA P02545 6/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 8/20 0.55
HPGD P15428 8/20 0.55
KDM4E B2RXH2 8/20 0.55
HSD17B10 Q99714 6/20 0.55
NPSR1 Q6W5P4 5/20 0.55
TSHR P16473 5/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 4/20 0.53
HTT P42858 4/20 0.52
MEN1 O00255 3/20 0.52
RUVBL1 Q9Y265 1/20 0.52
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4779873 0.93 KDM4E (0.64) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4795515 0.89 KDM4E (0.65) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4725736 0.88 LMNA (0.62) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4795734 0.88 TP53 (0.67) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4796199 0.86 HPGD (0.64) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4725441 0.85 KDM4E (0.62) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4940751 0.85 HSD17B10 (0.60) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4940985 0.84 ALDH1A1 (0.64) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4780930 0.83 LMNA (0.64) TP53LMNAMAPTALDH1A1HPGD
SCHEMBL4939020 0.82 ALDH1A1 (0.62) TP53LMNAMAPTALDH1A1HPGD

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-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US claimed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
US-20080221129-A1 New compounds BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
WO-2008003753-A1 PYRAZOLO [1,5-A] PYRIMIDINE ANALOGS FOR USE AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) ACTIVITY BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080221129-A1 New compounds SCD, SCD5, FASN TP53 1572/4885LMNA 2075/4885MAPT 168/4885

“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.