SCHEMBL5160950

SCHEMBL5160950

COCCNC(=O)Cc1ccc(N)cc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GLA P06280 1/20 0.50
CA2 P00918 1/20 0.48
HPGD P15428 7/20 0.43
POLB P06746 1/20 0.43
PTGER4 P35408 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 2/20 0.40
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5164550 0.92 ALDH1A1 (0.48) KDM4EL3MBTL1GLAHPGDPOLB
SCHEMBL5162590 0.84 L3MBTL1 (0.42) KDM4EL3MBTL1CA2HPGDTSHR
Ammonia Solution, Strong SCHEMBL5307556 0.82 L3MBTL1 (0.41) KDM4EL3MBTL1CA2HPGDTSHR
SCHEMBL5165340 0.82 CA12 (0.37) KDM4ECA2HPGDCYP1A2TSHR
SCHEMBL5164364 0.82 GAA (0.36) KDM4EHPGDPOLBSMN1; SMN2GAA
SCHEMBL5163460 0.81 HPGD (0.50) KDM4ECA2HPGDCYP1A2CYP2C19
Ammonia Solution, Strong SCHEMBL5332401 0.81 GAA (0.35) KDM4EHPGDPOLBSMN1; SMN2GAA
SCHEMBL5162095 0.80 EPHX2 (0.39) KDM4EHPGDPOLBTSHRMAPK1
SCHEMBL5162503 0.79 PTGS2 (0.36) L3MBTL1CA2HPGDMAPK1TP53
SCHEMBL5159732 0.79 CA2 (0.50) KDM4EL3MBTL1GLACA2HPGD

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 KDM4E 2209/4885L3MBTL1 4395/4885GLA 403/4885

“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.