SCHEMBL22773402

SCHEMBL22773402

Cc1ccc(NCc2ccc(-c3cc(Nc4ccc(N)cc4)ccc3N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 2/20 0.46
CASP1 P29466 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
PLEC Q15149 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.44
CA12 O43570 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
SCHEMBL24690513 0.85 MAPT (0.61) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL8170481 0.83 APP (0.49) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL11935945 0.82 MAPT (0.61) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL11935858 0.80 MAPT (0.67) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL27305389 0.80 MAPT (0.67) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL22783760 0.77 MAPT (0.71) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL14071631 0.73 FFAR1 (0.51) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL5884382 0.72 ACHE (0.59) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL455536 0.72 MEN1 (0.50) MEN1MAPTKMT2AL3MBTL1KDM4E
SCHEMBL5154356 0.72 MEN1 (0.50) MEN1MAPTKMT2AL3MBTL1KDM4E

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-11129782-B2 Derivatives of PPD useful for coloring hair and skin NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-28 US claimed
US-20200390670-A1 DERIVATIVES OF PPD USEFUL FOR COLORING HAIR AND SKIN NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-12-17 US claimed
US-11129782-B2 Derivatives of PPD useful for coloring hair and skin NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-09-28 US disclosed
US-20200390670-A1 DERIVATIVES OF PPD USEFUL FOR COLORING HAIR AND SKIN NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-12-17 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-11129782-B2 Derivatives of PPD useful for coloring hair and skin TST, SDHB, NDUFS3 MEN1 4138/4885MAPT 2765/4885KMT2A 4548/4885
US-20200390670-A1 DERIVATIVES OF PPD USEFUL FOR COLORING HAIR AND SKIN TST, SDHB, NDUFS3 MEN1 4138/4885MAPT 2765/4885KMT2A 4548/4885

“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.