SCHEMBL5163718

SCHEMBL5163718

Nc1ccc(CC(=O)Nc2ccncc2)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
TYK2 P29597 1/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
ADRA2B P18089 1/20 0.48
ANO1 Q5XXA6 1/20 0.46
BCHE P06276 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MDM2 Q00987 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL5162952 0.85 CYP1A2 (0.54) SMN1; SMN2MAPTHDAC3HDAC4HDAC1
Ammonia Solution, Strong SCHEMBL5309981 0.84 CYP1A2 (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL5164480 0.84 CYP1A1 (0.45) RAB9AANO1BCHECA1CA2
SCHEMBL5162562 0.83 ALDH1A1 (0.56) RAB9ASMN1; SMN2NPC1POLBHDAC3
SCHEMBL5161551 0.82 GAA (0.55) SMN1; SMN2CA1CA2POLBMAPT
SCHEMBL5164381 0.82 POLB (0.53) RAB9ASMN1; SMN2POLBMAPTHDAC3
SCHEMBL5163733 0.82 KMT2A (0.53) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL5161594 0.82 KMT2A (0.55) RAB9ASMN1; SMN2NPC1CA1CA2
SCHEMBL5162065 0.82 KCNJ5 (0.56) ANO1MAPT
SCHEMBL5162110 0.81 GAA (0.43) RAB9ASMN1; SMN2ANO1CA1CA2

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 JAK2 1574/4885TYK2 2345/4885RAB9A 4739/4885

“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.