SCHEMBL6772609

SCHEMBL6772609

Nc1ccc(N)c(C=CC(=O)N2CCOCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 7/20 0.53
KDM4E B2RXH2 3/20 0.53
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ITGB2 P05107 3/20 0.51
ICAM1 P05362 3/20 0.51
ITGAL P20701 3/20 0.51
ALDH1A1 P00352 4/20 0.50
TRPV1 Q8NER1 1/20 0.49
MAOB P27338 1/20 0.49
PLAU P00749 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 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
SCHEMBL6094793 0.88 TRPV1 (0.57) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL6096644 0.88 RAB9A (0.52) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL6139110 0.87 HPGD (0.49) RAB9ANPC1KDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL6093514 0.86 TRPV1 (0.56) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL6770831 0.83 SMN1; SMN2 (0.44) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL7572404 0.83 RAB9A (0.67) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL7572398 0.83 RAB9A (0.67) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL6138775 0.78 SMN1; SMN2 (0.40) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL9656533 0.77 TRPV1 (0.64) RAB9ANPC1KDM4EHPGDL3MBTL1
SCHEMBL9656530 0.77 TRPV1 (0.64) RAB9ANPC1KDM4EHPGDL3MBTL1

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-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-31 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-20030140431-A1 3-(2,5-Diaminophenyl)-acrylamide derivatives and colouring agents containing said compounds DPYD, AOC1, GPX4 RAB9A 4670/4885NPC1 4808/4885KDM4E 4413/4885

“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.