SCHEMBL25587768

SCHEMBL25587768

CN(Cc1ccc(Br)c(Cl)c1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
PYCR1 P32322 2/20 0.38
MAOB P27338 1/20 0.36
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SIGMAR1 Q99720 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
HTR7 P34969 2/20 0.34
HTR2B P41595 2/20 0.34
HTR5A P47898 2/20 0.34
HTR6 P50406 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR1E P28566 1/20 0.34
HTR3A P46098 1/20 0.34

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
SCHEMBL17788590 0.84 PYCR1 (0.53) MEN1KMT2AALDH1A1PYCR1SLC6A2
SCHEMBL23357811 0.82 HRH3 (0.45) MEN1KMT2AALDH1A1PYCR1MAOB
SCHEMBL25587793 0.80 MAOB (0.40) MEN1KMT2AALDH1A1PYCR1MAOB
SCHEMBL25587767 0.79 CYP1A2 (0.40) ALDH1A1LTA4HCYP1A2CYP2C19
SCHEMBL22651830 0.79 CNR2 (0.40) MEN1KMT2AALDH1A1PYCR1SLC6A2
SCHEMBL25587803 0.78 CYP1A2 (0.40) MEN1KMT2AALDH1A1PYCR1MAOB
SCHEMBL19565946 0.77 S1PR1 (0.46) MEN1KMT2APYCR1SLC6A2SLC6A4
SCHEMBL22651829 0.76 PYCR1 (0.39) MEN1KMT2AALDH1A1PYCR1SLC6A2
SCHEMBL23993134 0.75 SIGMAR1 (0.46) MEN1KMT2AALDH1A1PYCR1MAOB
SCHEMBL11955043 0.74 ESR1 (0.42) MEN1KMT2AALDH1A1MAOBSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 US disclosed
US-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-06-15 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-20230181592-A1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES ADORA1, OXGR1, ADORA2A MEN1 4806/4885KMT2A 4077/4885ALDH1A1 435/4885

“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.