SCHEMBL7224097

SCHEMBL7224097

CN=C(N)S.Nc1ccc(Cl)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
TP53 P04637 1/20 0.47
TDP1 Q9NUW8 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 4/20 0.46
CYP3A4 P08684 3/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
USP2 O75604 1/20 0.46
PKM P14618 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
TNF P01375 1/20 0.46
HSPD1 P10809 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL7218589 0.88 CASP1 (0.47) ALDH1A1TP53TDP1KDM4EMAPT
SCHEMBL29622742 0.85 ALDH1A1 (0.63) ALDH1A1TP53TDP1KDM4EMAPT
SCHEMBL81564 0.85 ALDH1A1 (0.63) ALDH1A1TP53TDP1KDM4EMAPT
Anthranilic Acid SCHEMBL10434164 0.74 MAPT (0.58) ALDH1A1TP53TDP1KDM4EMAPT
SCHEMBL1805998 0.74 ALDH1A1 (0.51) ALDH1A1TP53TDP1KDM4EMAPT
Aminobenzoic Acid SCHEMBL7222237 0.73 TSHR (0.46) ALDH1A1TP53MAPTCYP3A4HPGD
SCHEMBL1099858 0.72 CYP3A4 (0.48) ALDH1A1TP53TDP1KDM4EMAPT
3-Aminobenzoic Acid SCHEMBL7218839 0.71 PBRM1 (0.51) ALDH1A1KDM4EMAPTMEN1KMT2A
Carbamic Acid SCHEMBL9949893 0.71 CASP1 (0.59) ALDH1A1TP53TDP1KDM4EMAPT
SCHEMBL15248025 0.70 CYP3A4 (0.50) ALDH1A1TP53TDP1KDM4EMAPT

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-6525061-B1 Combinatorial libraries for drug discovery;4-((6-bromo-4-oxo-1,4-dihydroquinazolin-2-yl)amino)b enzoic acid, WYETH 2003-02-25 US disclosed
US-20020049320-A1 6-amino-2,4-dioxo-3,4-dihydro-1,3,5-triazine derivatives and methods for the solid phase synthesis thereof AMERICAN CYANAMID COMPANY 2002-04-25 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-20020049320-A1 6-amino-2,4-dioxo-3,4-dihydro-1,3,5-triazine derivatives and methods for the solid phase synthesis thereof DAZAP1, DCUN1D5, DHX15 ALDH1A1 127/4885TP53 3427/4885TDP1 508/4885

“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.