SCHEMBL22893169

SCHEMBL22893169

NNc1ccc(C(=O)NCc2ccc(-c3nncnn3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ EPHX2 P34913 5/20 0.41
▸ NR1H4 Q96RI1 2/20 0.41
▸ XDH P47989 1/20 0.41
▸ HDAC1 Q13547 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MLLT1 Q03111 1/20 0.40
▸ ROCK2 O75116 1/20 0.40

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
SCHEMBL24529801 0.83 HPGDS (0.48) HPGDSL3MBTL1EPHX2NR1H4XDH
SCHEMBL29723791 0.83 HPGDS (0.48) HPGDSL3MBTL1EPHX2NR1H4XDH
SCHEMBL16110424 0.81 L3MBTL1 (0.66) HPGDSL3MBTL1EPHX2MAPK1HDAC2
SCHEMBL25678192 0.78 CA2 (0.53) HPGDSL3MBTL1EPHX2NR1H4
SCHEMBL16109524 0.78 EPHX2 (0.56) L3MBTL1EPHX2HDAC1ROCK2ROCK1
SCHEMBL23015033 0.77 L3MBTL1 (0.61) L3MBTL1EPHX2NR1H4HDAC1MAPK1
SCHEMBL217496 0.73 NNMT (0.49) L3MBTL1HDAC1HDAC6
SCHEMBL25511293 0.72 KMT2A (0.41) EPHX2NR1H4XDHHDAC1HDAC6
SCHEMBL12103897 0.72 KMT2A (0.56) EPHX2NR1H4HDAC1HDAC3HDAC4
SCHEMBL12388325 0.72 HCAR3 (0.51) —

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-20210008229-A1 TARGETED PHOTOACOUSTIC AGENTS AND USES THEREOF MCMASTER UNIVERSITY (CA) 2021-01-14 — — 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-20210008229-A1 TARGETED PHOTOACOUSTIC AGENTS AND USES THEREOF PPOX, PAM, MB HPGDS 571/4885L3MBTL1 3041/4885EPHX2 545/4885

“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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