SCHEMBL6771789

SCHEMBL6771789

Nc1ccc(N)c(C=CC(=O)N2CCCC(O)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 6/20 0.41
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PELI1 Q96FA3 2/20 0.36
GAA P10253 1/20 0.35

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 0.94 SMN1; SMN2 (0.40) ENPP2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6096102 0.89 PELI1 (0.47) ENPP2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6093385 0.89 PELI1 (0.47) ENPP2ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6770831 0.86 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6139110 0.84 HPGD (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6096742 0.76 PELI1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6771360 0.76 MAPK1 (0.40) ENPP2ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL6771363 0.76 MAPK1 (0.40) ENPP2ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL6772609 0.76 RAB9A (0.54) ALDH1A1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL6777099 0.75 ENPP2 (0.46) ENPP2POLBL3MBTL1PTGS2

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 ENPP2 2560/4885ALDH1A1 31/4885SMN1; SMN2 719/4885

“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.