SCHEMBL20248933

SCHEMBL20248933

CCn1c2ccc(C)cc2c2nnc(C)nc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.70
▸ ALDH1A1 P00352 8/20 0.70
▸ GAA P10253 3/20 0.70
▸ HPGD P15428 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ THRB P10828 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ POLB P06746 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20248916 0.86 ALDH1A1 (0.69) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL20254573 0.86 MAPT (0.67) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL20248920 0.80 MEN1 (0.63) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL20248931 0.77 MAPT (0.43) MAPTALDH1A1GAAHPGDMEN1
Dimethylamine SCHEMBL9706176 0.76 MAPT (0.67) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL20248958 0.76 MAPK1 (0.78) MAPTALDH1A1GAAHPGDMEN1
SCHEMBL1611235 0.73 KDM4E (0.52) MAPTALDH1A1GAAHPGDKDM4E
SCHEMBL20248923 0.71 ALDH1A1 (0.52) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL20254403 0.70 ALDH1A1 (0.67) MAPTALDH1A1GAAHPGDKDM4E
Dimethylamine SCHEMBL9706158 0.69 MAPT (0.60) MAPTALDH1A1GAAHPGDKDM4E

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-20180162867-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2018-06-14 — — 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-20180162867-A1 EIS INHIBITORS EP300, ACAT1, ACAT2 MAPT 4313/4885ALDH1A1 1232/4885GAA 274/4885

“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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