Sugi Predict

Sugi Predict / Compounds / SCHEMBL5164364

SCHEMBL5164364

SCHEMBL5164364

Nc1ccc(CC(=O)NCCO)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PTGS2 P35354 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC4 P56524 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC7 Q8WUI4 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC11 Q96DB2 2/20 0.33

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
Ammonia Solution, Strong SCHEMBL5332401 0.98 GAA (0.35) GAAEPHX2NR1H4KDM4ESMN1; SMN2
SCHEMBL5162503 0.91 PTGS2 (0.36) GAAPTGS2HPGDHTTHDAC3
SCHEMBL5165340 0.87 CA12 (0.37) GAAEPHX2NR1H4KDM4EHPGD
SCHEMBL5162590 0.86 L3MBTL1 (0.42) GAAEPHX2NR1H4KDM4ESMN1; SMN2
Ammonia Solution, Strong SCHEMBL5307556 0.84 L3MBTL1 (0.41) GAAEPHX2NR1H4KDM4ESMN1; SMN2
SCHEMBL5163460 0.83 HPGD (0.50) KDM4ESMN1; SMN2HPGDHTTALDH1A1
SCHEMBL5162095 0.82 EPHX2 (0.39) GAAEPHX2NR1H4KDM4EHPGD
SCHEMBL5160950 0.82 KDM4E (0.50) GAAKDM4ESMN1; SMN2HPGDPOLB
SCHEMBL14278969 0.80 TAAR1 (0.42) GAAKDM4ESMN1; SMN2HSD17B10HPGD
SCHEMBL5164550 0.80 ALDH1A1 (0.48) GAAKDM4ESMN1; SMN2HSD17B10HPGD

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 GAA 2771/4885EPHX2 2475/4885NR1H4 2501/4885

“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.