SCHEMBL9770486

SCHEMBL9770486

O=C(COc1ccccc1)NCCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.78
HPGD P15428 2/20 0.71
ABCB1 P08183 1/20 0.71
ABCG2 Q9UNQ0 1/20 0.71
KMT2A Q03164 2/20 0.71
TAAR1 Q96RJ0 1/20 0.70
POLB P06746 1/20 0.66
ESR1 P03372 1/20 0.63
YWHAB P31946 1/20 0.63
PDK1 Q15118 1/20 0.63
ALDH1A1 P00352 4/20 0.63
GAA P10253 1/20 0.63
NPC1 O15118 1/20 0.61
USP2 O75604 1/20 0.61
ADAMTS5 Q9UNA0 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.60
SGMS1 Q86VZ5 1/20 0.60
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL9265091 0.91 HPGD (0.81) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL17117490 0.90 KMT2A (0.67) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL11470220 0.90 PTPN1 (0.73) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL17117372 0.89 HPGD (0.65) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL20816070 0.88 KDM4E (0.76) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL4361785 0.85 ADAMTS5 (0.67) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL4737461 0.85 MEN1 (0.78) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL8184182 0.84 RECQL (0.70) PTPN1HPGDKMT2AGAANPC1
SCHEMBL28650889 0.83 PTPN1 (0.61) PTPN1HPGDABCB1ABCG2KMT2A
SCHEMBL5272168 0.83 KMT2A (1.00) HPGDKMT2APOLBALDH1A1KDM4E

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-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators UNIV EMORY (US) 2023-11-09 US disclosed
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators EMORY UNIVERSITY (US) 2023-08-29 US disclosed
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 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 (3 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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 PTPN1 2195/4885HPGD 4038/4885ABCB1 269/4885
US-20230355593-A1 N-methyl-D-aspartic Acid Receptor Modulators GRIN1, GRIN2A, GRM1 PTPN1 2252/4885HPGD 1784/4885ABCB1 3518/4885
US-11738008-B2 N-methyl-D-aspartic acid receptor modulators GRIN1, GRIN2A, GRM1 PTPN1 2242/4885HPGD 1775/4885ABCB1 3474/4885

“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.