SCHEMBL6772802

SCHEMBL6772802

CC(C)C(NC(=O)C=Cc1cc(N)ccc1N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 2/20 0.38
▸ ADAMTS4 O75173 1/20 0.37
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL6772799 1.00 MMP13 (0.39) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6093761 0.88 SNCA (0.41) ADAMTS4CA2CA1SMN1; SMN2GAA
SCHEMBL6095120 0.88 XDH (0.43) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6093758 0.88 SNCA (0.41) ADAMTS4CA2CA1SMN1; SMN2GAA
SCHEMBL6095126 0.88 XDH (0.43) MMP13MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6098003 0.87 XDH (0.42) MMP13MMP1MMP2MMP3MMP7
Hydrochloric Acid SCHEMBL6097997 0.87 XDH (0.42) MMP13MMP1MMP2MMP3MMP7
SCHEMBL6138675 0.85 ALOX5 (0.44) SMN1; SMN2GAATDP1LMNAHPGD
SCHEMBL6138672 0.85 ALOX5 (0.44) SMN1; SMN2GAATDP1LMNAHPGD
Hydrochloric Acid SCHEMBL6139114 0.83 ALOX5 (0.43) SMN1; SMN2GAATDP1LMNAHPGD

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 MMP13 1741/4885MMP1 1113/4885MMP2 1581/4885

“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.

Send feedback