SCHEMBL3486549

SCHEMBL3486549

NC(=O)c1cccc2c(N)ccc(C=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
GLA P06280 1/20 0.41
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KDM4E B2RXH2 6/20 0.37
GAA P10253 3/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
THRB P10828 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36

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
SCHEMBL7113644 0.83 ALDH1A1 (0.47) ALDH1A1GLAKEAP1NFE2L2CRHBP
SCHEMBL29679602 0.83 ALDH1A1 (0.47) ALDH1A1GLAKEAP1NFE2L2CRHBP
SCHEMBL7536538 0.81 ALDH1A1 (0.44) ALDH1A1GLAKEAP1NFE2L2KDM4E
SCHEMBL11780262 0.77 CDC25B (0.46) ALDH1A1GLAKEAP1NFE2L2CRHBP
SCHEMBL3293879 0.76 ALDH1A1 (0.44) ALDH1A1GLAKDM4EGAAMAPT
SCHEMBL13541560 0.73 NR4A1 (0.46) ALDH1A1KDM4EKMT2AMEN1HPGD
SCHEMBL4954609 0.72 PARP1 (0.41) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL22100012 0.71 NSD2 (0.39) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL6061358 0.71 ALDH1A1 (0.56) ALDH1A1GLAKEAP1KDM4EGAA
SCHEMBL7536533 0.70 KMT2A (0.56) ALDH1A1KDM4EGAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5279967-A Using fluorophore label NALCO CHEMICAL COMPANY (US) 1994-01-18 US claimed
US-20100035281-A1 COMPOSITIONS AND METHODS FOR TISSUE-BASED PROTEIN TRUNCATION TEST FOR DISEASE DIAGNOSIS THE REGENTS OF THE UNIVERSITY OF COLORADO 2010-02-11 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 (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-20100035281-A1 COMPOSITIONS AND METHODS FOR TISSUE-BASED PROTEIN TRUNCATION TEST FOR DISEASE DIAGNOSIS PMP22, PABPC4, PABPC1 ALDH1A1 4348/4885GLA 1948/4885KEAP1 4638/4885

“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.