SCHEMBL6139110

SCHEMBL6139110

Nc1ccc(N)c(C=CC(=O)N2CCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PELI1 Q96FA3 3/20 0.47
ALDH1A1 P00352 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TRPV1 Q8NER1 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAOB P27338 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL6772609 0.87 RAB9A (0.54) HPGDL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6770831 0.87 SMN1; SMN2 (0.44) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL6096936 0.87 PELI1 (0.62) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL6094563 0.87 PELI1 (0.62) HPGDMAPTL3MBTL1PELI1ALDH1A1
Hydrochloric Acid SCHEMBL6095855 0.85 PELI1 (0.61) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL6771789 0.84 ENPP2 (0.46) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL6138775 0.82 SMN1; SMN2 (0.40) HPGDMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL446260 0.81 ALDH1A1 (0.53) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL446259 0.81 ALDH1A1 (0.53) HPGDMAPTL3MBTL1PELI1ALDH1A1
SCHEMBL6311846 0.79 HPGD (0.67) HPGDMAPTL3MBTL1PELI1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263712-B1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-12-14 EP claimed
US-6699990-B2 COLORFASTNESS; WATERPROOFING; OXIDATIVE COLOR HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US claimed
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 claimed
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 HPGD 92/4885MAPT 755/4885L3MBTL1 4610/4885

“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.