SCHEMBL5047448

SCHEMBL5047448

O=C(c1ccccc1)c1cncc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
ALOX15 P16050 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
CDC25B P30305 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MAPK14 Q16539 1/20 0.41
BCL2 P10415 1/20 0.40
MCL1 Q07820 1/20 0.40
BAD Q92934 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
SCHEMBL30032983 1.00 AKR1C3 (0.46) AKR1C3MEN1KMT2AALDH1A1HTT
SCHEMBL7374228 0.89 CDC25B (0.48) MEN1KMT2AHTTNR4A1NR4A2
Bromide SCHEMBL7369447 0.87 CDC25B (0.47) MEN1KMT2AHTTNR4A1NR4A2
SCHEMBL2149297 0.83 NR4A1 (0.59) MEN1KMT2AALDH1A1ALOX15NR4A1
SCHEMBL30430793 0.83 NR4A1 (0.59) MEN1KMT2AALDH1A1ALOX15NR4A1
Hydrochloric Acid SCHEMBL4617820 0.81 NR4A1 (0.57) MEN1KMT2AALDH1A1ALOX15NR4A1
SCHEMBL30033000 0.81 CES2 (0.41) CNR2HDAC6
SCHEMBL30033726 0.81 MEN1 (0.38) MEN1KMT2AALDH1A1NR4A1NR4A2
SCHEMBL1121657 0.78 KDM4E (0.50) KMT2AALDH1A1HTTNR4A1NR4A2
SCHEMBL8966381 0.78 CYP11B1 (0.43) MEN1KMT2AALDH1A1NR4A1NR4A2

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
CN-115286572-B 4-acyl-isoquinoline derivative and preparation method and application thereof 绍兴文理学院 2023-10-13 CN disclosed
CN-115286572-A 4-acyl-isoquinoline derivative and preparation method and application thereof 绍兴文理学院 2022-11-04 CN disclosed
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 AKR1C3 291/4885MEN1 2046/4885KMT2A 1218/4885

“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.