SCHEMBL12045404

SCHEMBL12045404

Cc1nccn1CC(O)CCc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
AGER Q15109 1/20 0.49
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
KCNH2 Q12809 1/20 0.42

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
Hydrochloric Acid SCHEMBL9996066 0.99 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTAGER
SCHEMBL28437161 0.76 KMT2A (0.55) MEN1KMT2AALDH1A1MAPTAGER
SCHEMBL2950629 0.76 LMNA (0.71) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL12045402 0.73 ALPL (0.47) LMNAL3MBTL1KCNH2
SCHEMBL24169240 0.73 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTAGER
SCHEMBL30387604 0.73 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTAGER
SCHEMBL4865264 0.73 KMT2A (0.57) MEN1KMT2AALDH1A1MAPTAGER
SCHEMBL409343 0.72 ALDH1A1 (0.59) ALDH1A1LMNAKCNH2
SCHEMBL6225250 0.71 KMT2A (0.54) MEN1KMT2AALDH1A1MAPTAGER
Hydrochloric Acid SCHEMBL408521 0.71 ALDH1A1 (0.58) ALDH1A1LMNAKCNH2

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
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 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 (2 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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 MEN1 2236/4885KMT2A 4262/4885ALDH1A1 452/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 MEN1 2143/4885KMT2A 3654/4885ALDH1A1 394/4885

“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.