SCHEMBL4290720

SCHEMBL4290720

C[C@H](NC(=O)c1ccccc1N)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
KDM4E B2RXH2 4/20 1.00
HPGD P15428 4/20 0.69
HSD17B10 Q99714 3/20 0.69
LMNA P02545 3/20 0.69
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC6 Q9UBN7 1/20 0.55
FADS1 O60427 1/20 0.55
NPC1 O15118 1/20 0.54
MAPK8 P45983 1/20 0.53
KMT2A Q03164 1/20 0.53
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
TSHR P16473 1/20 0.52
RECQL P46063 1/20 0.52
THRB P10828 1/20 0.51

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
SCHEMBL4278021 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4278016 1.00 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL18837529 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL3695188 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL4930922 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL27651927 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1285890 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL743064 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL1285869 0.83 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL103927 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137681-A1 Sirtuin Inhibiting Compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2009-05-28 US disclosed
US-4629740-A ENANTIOMORPHS OF 4-AMINO-N/1-PHENYLETHYL/BENZAMIDE ELI LILLY AND COMPANY (US) 1986-12-16 US disclosed
EP-0158526-A1 Improvements in or relating to anticonvulsant agents ELI LILLY AND COMPANY (US) 1985-10-16 EP 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-20090137681-A1 Sirtuin Inhibiting Compounds SIRT2, SIRT1, SIRT3 ALDH1A1 3168/4885KDM4E 1695/4885HPGD 932/4885

“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.