SCHEMBL5000228

SCHEMBL5000228

NC(=O)CNCCOc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 3/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD3 P35462 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5000232 0.83 DRD2 (0.54) L3MBTL1HTTLMNAMEN1KMT2A
SCHEMBL5736332 0.81 TDP1 (0.55) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5000643 0.80 TDP1 (0.54) L3MBTL1LMNACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5004341 0.79 GAA (0.46) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL5003893 0.79 KDM4E (0.62) HTTLMNAMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL5004305 0.78 PTGDR2 (0.44) HTTLMNAMEN1KMT2ACYP2C9
SCHEMBL16220812 0.77 DRD4 (0.59) L3MBTL1CYP1A2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5004207 0.77 LMNA (0.54) LMNAMEN1KMT2ANPSR1MAPT
SCHEMBL5739032 0.75 MEN1 (0.63) L3MBTL1LMNAMEN1KMT2ACYP1A2
SCHEMBL5990060 0.75 CYP1A2 (0.51) L3MBTL1HTTLMNAMEN1KMT2A

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-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF L3MBTL1 1339/4885HTT 4309/4885LMNA 2885/4885

“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.