SCHEMBL6336237

SCHEMBL6336237

Nc1ccc(CNc2cccc(O)c2)c(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CA12 O43570 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EGFR P00533 3/20 0.40
KMT2A Q03164 2/20 0.40
ADRA2B P18089 1/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.38

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
SCHEMBL6269748 0.88 BCHE (0.45) MAOBBCHEACHECA12ALDH1A1
SCHEMBL6339193 0.87 MAPT (0.44) ALDH1A1TDP1MAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6273063 0.86 BCHE (0.44) MAOBBCHEACHECA12ALDH1A1
SCHEMBL7519446 0.84 MAPT (0.50) MAOBBCHEACHEMAPTHPGD
Hydrochloric Acid SCHEMBL6516882 0.83 EGFR (0.53) MAOBACHEALDH1A1TDP1MAPT
SCHEMBL6340604 0.82 EGFR (0.54) ALDH1A1CA1CA2TDP1CA14
SCHEMBL5165386 0.80 NLRP3 (0.53) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2988180 0.79 EGFR (0.54) MAOBALDH1A1TDP1CA14MAPT
Ammonia Solution, Strong SCHEMBL5303098 0.79 NLRP3 (0.52) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL2995310 0.78 ADRA2B (0.51) MAOBCA12ALDH1A1CA1CA2

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 MAOB 83/4885BCHE 1684/4885ACHE 580/4885

“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.