SCHEMBL22639681

SCHEMBL22639681

CCc1nc2ccccc2n1CCC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ RECQL P46063 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ PIN1 Q13526 3/20 0.60
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ USP2 O75604 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HPGD P15428 1/20 0.53

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
SCHEMBL9422768 0.86 KDM4E (0.67) KMT2ALMNAKDM4EHDAC6PIN1
SCHEMBL668252 0.85 LMNA (0.66) KMT2ALMNAKDM4ERECQLHDAC6
SCHEMBL31596375 0.85 APEX1 (0.73) KMT2AKDM4ERECQLTSHRMAPK1
SCHEMBL18955291 0.85 APEX1 (0.73) KMT2AKDM4ERECQLTSHRMAPK1
SCHEMBL20083649 0.82 RECQL (0.61) KMT2ALMNAKDM4ERECQLTSHR
SCHEMBL22965263 0.82 LMNA (0.65) KMT2ALMNAKDM4EHDAC6TSHR
SCHEMBL11195872 0.81 TSHR (0.68) KMT2ALMNAKDM4ERECQLTSHR
SCHEMBL10980298 0.81 MAPK1 (0.71) KMT2ALMNAKDM4ERECQLTSHR
SCHEMBL1520801 0.79 KMT2A (0.64) KMT2ALMNAKDM4ERECQLTSHR
SCHEMBL20220717 0.79 KDM4E (0.74) KMT2ALMNAKDM4ERECQLHDAC6

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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2020-11-10 — — 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-10828281-B2 Non-hydrophobic compounds for use in treating metastasis and/or cartilage defect VIM, MATR3, TP53 KMT2A 4613/4885LMNA 769/4885KDM4E 4343/4885

“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.

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