SCHEMBL25932259

SCHEMBL25932259

Cc1cc(N)c(N)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
METAP2 P50579 1/20 0.42
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
PSMB5 P28074 2/20 0.39
HDAC7 Q8WUI4 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
BACE1 P56817 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
SCHEMBL2799978 0.89 NUDT1 (0.51) NUDT1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL10829083 0.85 TDP1 (0.44) ALDH1A1HSD17B10ADORA2AADORA1TDP1
SCHEMBL29277891 0.84 RAB9A (0.46) ALDH1A1HSD17B10ADORA2AADORA1TDP1
SCHEMBL30714452 0.84 RAB9A (0.46) ALDH1A1HSD17B10ADORA2AADORA1TDP1
SCHEMBL6586695 0.83 NUDT1 (0.47) NUDT1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL30818025 0.83 NUDT1 (0.47) NUDT1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL29430975 0.80 MAOB (0.46) NUDT1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL18582910 0.80 NUDT1 (0.45) NUDT1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL6573071 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10TDP1TP53CYP3A4
SCHEMBL3923680 0.78 HSD17B10 (0.50) ALDH1A1HSD17B10PDE4APDE4BPDE4C

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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS VALO HEALTH, INC. 2023-08-03 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-20230242512-A1 ISOINDOLINES AS HDAC INHIBITORS HDAC1, HDAC2, HDAC3 NUDT1 4570/4885ALDH1A1 1133/4885HSD17B10 823/4885

“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.