SCHEMBL6770831

SCHEMBL6770831

Nc1ccc(N)c(C=CC(=O)N2CCC(O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
MAOB P27338 1/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 1/20 0.37
C3AR1 Q16581 1/20 0.37
CCR2 P41597 2/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
PELI1 Q96FA3 2/20 0.36

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
SCHEMBL6138775 0.92 SMN1; SMN2 (0.40) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6096742 0.89 PELI1 (0.48) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6098470 0.88 PELI1 (0.49) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6139110 0.87 HPGD (0.49) SMN1; SMN2MAPTALDH1A1L3MBTL1HPGD
Hydrochloric Acid SCHEMBL6094972 0.86 PELI1 (0.48) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6771789 0.86 ENPP2 (0.46) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6772609 0.83 RAB9A (0.54) SMN1; SMN2POLBALDH1A1L3MBTL1HPGD
SCHEMBL6771363 0.76 MAPK1 (0.40) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6771360 0.76 MAPK1 (0.40) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1
SCHEMBL6093385 0.75 PELI1 (0.47) SMN1; SMN2POLBMAPTALDH1A1L3MBTL1

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 SMN1; SMN2 719/4885POLB 1209/4885MAPT 755/4885

“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.