SCHEMBL6344706

SCHEMBL6344706

Cc1ccc(NCc2ccc(N)cc2N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ADRA2B P18089 1/20 0.46
HTT P42858 2/20 0.44
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
CASP1 P29466 4/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PLEC Q15149 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL2995310 0.89 ADRA2B (0.51) MAPTADRA2BHTTMEN1KMT2A
SCHEMBL6267226 0.86 MAPT (0.47) MAPTADRA2BHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL6849297 0.85 MAPT (0.46) MAPTADRA2BHTTMEN1KMT2A
SCHEMBL6340604 0.83 EGFR (0.54) MAPTADRA2BHTTMEN1KMT2A
SCHEMBL7163158 0.80 MAPT (0.61) MAPTMEN1KMT2ACASP1KDM4E
SCHEMBL6339193 0.77 MAPT (0.44) MAPTADRA2BMEN1KMT2ACASP1
SCHEMBL5164381 0.76 POLB (0.53) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL2988180 0.76 EGFR (0.54) MAPTADRA2BHTTMEN1KMT2A
SCHEMBL2473779 0.74 ADRA2B (0.47) MAPTADRA2BHTTMEN1KMT2A
SCHEMBL11935858 0.74 MAPT (0.67) MAPTHTTMEN1KMT2ACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936077-B2 1,3-diamino-4-(aminomethyl)—benzene derivatives and colorants containing the said compounds WELLA AG (DE) 2005-08-30 US disclosed
US-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-09-18 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-20030172471-A1 1,3-diamino-4-(aminomethyl) - benzene derivatives and colorants containing the said compounds AOC1, DPYD, NDUFB4 MAPT 898/4885ADRA2B 499/4885HTT 3827/4885

“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.