SCHEMBL5164031

SCHEMBL5164031

CN(C)c1ccc(NC(=O)Cc2ccc(N)cc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 5/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MCL1 Q07820 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 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
SCHEMBL5162061 0.86 ALDH1A1 (0.57) MAPTGAAALDH1A1SMN1; SMN2MAPK1
SCHEMBL5164381 0.85 POLB (0.53) MAPTGAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL5164480 0.83 CYP1A1 (0.45) MAPTGAAALDH1A1RAB9AMAPK1
SCHEMBL5161551 0.82 GAA (0.55) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL5161594 0.82 KMT2A (0.55) MAPTHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL5163733 0.82 KMT2A (0.53) MAPTHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL5162952 0.81 CYP1A2 (0.54) MAPTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL5162960 0.81 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5162110 0.81 GAA (0.43) MAPTGAASMN1; SMN2RAB9AHDAC1
Ammonia Solution, Strong SCHEMBL5309981 0.80 CYP1A2 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
WO-2007026312-A1 1,3-DIAMINOBENZENE DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO disclosed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP 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-20070067923-A1 1,3-Diaminobenzene derivatives and colorants comprising these compounds KRT18, DSP, DSG1 MAPT 1737/4885HPGD 44/4885GAA 2771/4885

“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.