SCHEMBL13856913

SCHEMBL13856913

Cc1nc(/N=N\c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 1.00
▸ TDP1 Q9NUW8 6/20 1.00
▸ KDM4E B2RXH2 4/20 1.00
▸ MEN1 O00255 4/20 1.00
▸ KMT2A Q03164 4/20 1.00
▸ HPGD P15428 3/20 1.00
▸ HSD17B10 Q99714 3/20 1.00
▸ THRB P10828 3/20 1.00
▸ RECQL P46063 3/20 1.00
▸ P2RX7 Q99572 3/20 1.00
▸ MAPK1 P28482 2/20 1.00
▸ ALDH1A1 P00352 2/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ ALOX15 P16050 1/20 1.00
▸ ALOX12 P18054 1/20 1.00
▸ BRCA1 P38398 1/20 1.00
▸ CDK2 P24941 1/20 0.77
▸ CYP2C19 P33261 2/20 0.77
▸ THPO P40225 2/20 0.77
▸ POLB P06746 1/20 0.77

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
SCHEMBL30533406 1.00 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL14506114 1.00 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL16450977 0.93 MAPT (0.87) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL16325955 0.88 MAPT (0.79) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL29381820 0.87 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL13961828 0.82 P2RY1 (0.74) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL13962116 0.78 P2RY1 (1.00) MAPTTDP1KDM4EMEN1KMT2A
Isoppads SCHEMBL14702227 0.78 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL13624677 0.78 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL31236767 0.78 MAPT (1.00) MAPTTDP1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 — — 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-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MAPT 3866/4885TDP1 2043/4885KDM4E 3373/4885

“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.

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