SCHEMBL1300876

SCHEMBL1300876

Cc1[nH]nc(C=O)c1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 2/20 0.53
AURKA O14965 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 3/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
STAT1 P42224 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.45
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CASP3 P42574 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
SCHEMBL18873552 0.85 PDE4D (0.61) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL1300653 0.80 AURKA (0.53) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL4105624 0.80 PDE4D (0.67) KMT2AAURKASMN1; SMN2MAPK1ALDH1A1
SCHEMBL2162420 0.79 SMN1; SMN2 (0.52) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL22548001 0.75 RAB9A (0.72) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL12108656 0.74 PDE4D (0.50) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL7512103 0.74 SMN1; SMN2 (0.62) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL16817619 0.73 SMN1; SMN2 (0.46) RAB9ANPC1KMT2AAURKASMN1; SMN2
SCHEMBL31335067 0.72 HCAR2 (0.51) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL17965761 0.72 TDP1 (0.61) RAB9ANPC1KMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 US disclosed
EP-2519664-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN Avila Therapeutics, Inc. (US) 2012-11-07 EP disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 WO disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 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 (4 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP RAB9A 3853/4885NPC1 4245/4885KMT2A 1160/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP RAB9A 3853/4885NPC1 4245/4885KMT2A 1160/4885
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 RAB9A 1256/4885NPC1 4104/4885KMT2A 859/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP RAB9A 3853/4885NPC1 4245/4885KMT2A 1160/4885

“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.