SCHEMBL6377997

SCHEMBL6377997

COC(=O)C1=NCCc2c1[nH]c1ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
HTR7 P34969 4/20 0.57
HTR2A P28223 3/20 0.57
HTR2C P28335 3/20 0.57
HTR6 P50406 3/20 0.57
ADRB2 P07550 2/20 0.57
POLB P06746 2/20 0.57
HTR1A P08908 1/20 0.57
HTR5A P47898 1/20 0.57
NISCH Q9Y2I1 1/20 0.57
CHRM4 P08173 1/20 0.50
DRD2 P14416 1/20 0.50
IDO1 P14902 1/20 0.48
PTPN1 P18031 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
NR4A2 P43354 3/20 0.47
ATM Q13315 2/20 0.46

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
SCHEMBL6376821 0.86 AURKA (0.60) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL27594856 0.83 MEN1 (0.59) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL28122002 0.78 KMT2A (0.54) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL6370032 0.78 MEN1 (0.55) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL12762818 0.76 MEN1 (0.59) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL18229768 0.76 MEN1 (0.65) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL273592 0.75 IDO1 (0.53) KDM4EMAPTMEN1KMT2AIDO1
SCHEMBL1515596 0.74 MEN1 (0.63) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL141724 0.73 MEN1 (1.00) KDM4EMAPTMEN1KMT2AHTR7
SCHEMBL9480941 0.73 MEN1 (1.00) KDM4EMAPTMEN1KMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349905-C Ligands for use in catalytic processes EIDGENOESS TECH HOCHSCHULE (CH) 2007-11-21 CN disclosed
US-20050107608-A1 Ligands for use in catalytic processes EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH ETHZ (CH) 2005-05-19 US disclosed
CN-1599743-A Ligands for use in catalytic processes EIDGENOESS TECH HOCHSCHULE (CH) 2005-03-23 CN 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-20050107608-A1 Ligands for use in catalytic processes PNKP, ITPA, PLCG2 KDM4E 3430/4885MAPT 4672/4885MEN1 3026/4885

“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.