SCHEMBL4782268

SCHEMBL4782268

Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NC4CCCC4)cnn3c2C)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
TP53 P04637 6/20 0.70
LMNA P02545 4/20 0.70
ALDH1A1 P00352 7/20 0.59
HPGD P15428 7/20 0.59
KDM4E B2RXH2 6/20 0.59
HSD17B10 Q99714 4/20 0.59
TSHR P16473 3/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 3/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
POLB P06746 1/20 0.57
TYK2 P29597 4/20 0.50
PDE4D Q08499 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4794503 0.81 TP53 (0.81) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL17616166 0.75 HSD17B10 (0.53) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL2464153 0.74 ALDH1A1 (0.80) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL9926737 0.73 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19042927 0.73 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19242866 0.73 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL22767501 0.73 ALDH1A1 (1.00) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL17616106 0.70 ALDH1A1 (0.53) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL4796199 0.69 HPGD (0.64) MAPTTP53LMNAALDH1A1HPGD
SCHEMBL4940751 0.69 HSD17B10 (0.60) MAPTTP53LMNAALDH1A1HPGD

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 MAPT 168/4885TP53 1572/4885LMNA 2075/4885

“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.