SCHEMBL6323882

SCHEMBL6323882

CN(Cc1ccccc1)C(=O)c1ccc2c(Cl)ncnc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.48
ADORA2A P29274 1/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
PDE2A O00408 1/20 0.45
PDE10A Q9Y233 1/20 0.45
ITK Q08881 1/20 0.44
MLYCD O95822 1/20 0.44
LIMK2 P53671 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6332625 0.77 HPGD (0.52) MEN1KMT2AHPGDALDH1A1TSHR
SCHEMBL31731740 0.75 KMT2A (0.51) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL4968804 0.74 PDE4A (0.47) HPGDALDH1A1GAATSHRRECQL
SCHEMBL8304320 0.74 ALDH1A1 (0.49) MEN1KMT2AHPGDALDH1A1ADORA2A
SCHEMBL562451 0.74 MEN1 (0.62) MEN1KMT2AHPGDALDH1A1GAA
Hydrochloric Acid SCHEMBL6332115 0.73 PDE4A (0.46) HPGDALDH1A1GAATSHRRECQL
SCHEMBL6843232 0.73 PDE4A (0.46) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL13373337 0.73 KMT2A (0.58) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL1135316 0.73 KMT2A (0.57) MEN1KMT2AHPGDALDH1A1GAA
SCHEMBL5644480 0.72 KMT2A (0.79) MEN1KMT2AHPGDALDH1A1GAA

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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-19 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-20050107409-A1 Aromatic bicyclic compounds, preparation thereof and their use as pharmaceutical compositions F12, F2, F11 MEN1 1585/4885KMT2A 3506/4885HPGD 1428/4885

“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.