SCHEMBL5267243

SCHEMBL5267243

O=C(O)c1cnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 2/20 0.53
HPGDS O60760 1/20 0.53
EGLN1 Q9GZT9 9/20 0.46
ALKBH1 Q13686 5/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5267233 0.87 MAPT (0.42) ALKBH2HPGDSEGLN1NPC1MAPT
SCHEMBL5269393 0.83 TSHR (0.47) L3MBTL1TSHRNPC1MAPTRAB9A
SCHEMBL27985786 0.83 BAZ2B (0.42) ALKBH2HPGDSEGLN1NPC1MAPT
SCHEMBL27745237 0.78 TDP1 (0.53) ALKBH1L3MBTL1NPC1MAPTHTT
SCHEMBL5267207 0.78 MLYCD (0.44) ALKBH2HPGDSEGLN1ALKBH1NPC1
SCHEMBL7254281 0.77 GAA (0.48) ALKBH2HPGDS
SCHEMBL8313319 0.77 KCNN4 (0.36)
SCHEMBL1195324 0.76 AKR1B1 (0.44) TSHRNAPRTMAPTHTTRAB9A
SCHEMBL20772213 0.75 MAPT (0.36) ALKBH2HPGDSNPC1MAPTRAB9A
SCHEMBL15012958 0.74 RECQL (0.46) TSHRNPC1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
CN-1158610-A Quinoxaline derivatives useful in therapy PFIZER LTD (IE) 1997-09-03 CN 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 (2 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ALKBH2 4750/4885HPGDS 31/4885EGLN1 397/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP ALKBH2 4725/4885HPGDS 1105/4885EGLN1 2264/4885

“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.