SCHEMBL29993166

SCHEMBL29993166

Nc1ccc2cccnc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NOS2 P35228 2/20 0.46
NCF1 P14598 2/20 0.46
BACE1 P56817 2/20 0.46
TP53 P04637 2/20 0.46
HSP90AA1 P07900 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GMNN O75496 1/20 0.46
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 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
SCHEMBL169378 1.00 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL30738240 1.00 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5263750 0.98 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EMEN1KMT2A
Biphenyl SCHEMBL29090174 0.90 LMNA (0.47) ALDH1A1LMNAKDM4EMEN1KMT2A
Pyrimidine SCHEMBL29083861 0.89 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL27950781 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL27606024 0.86 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EMEN1KMT2A
Oxazole SCHEMBL27663218 0.84 ALDH1A1 (0.40) ALDH1A1LMNAKDM4EMEN1KMT2A
Hydrochlorthiazide SCHEMBL27663249 0.83 ALDH1A1 (0.39) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL169736 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993595-B2 Compounds MISSION THERAPEUTICS LIMITED (GB) 2024-05-28 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11472798-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2022-10-18 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 (3 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-11472798-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885LMNA 4091/4885KDM4E 175/4885
US-11993595-B2 Compounds UCHL1, UCHL3, UCHL5 ALDH1A1 300/4885LMNA 4091/4885KDM4E 175/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 ALDH1A1 285/4885LMNA 4089/4885KDM4E 178/4885

“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.