SCHEMBL6139247

SCHEMBL6139247

Nc1ccc(N)c(C=CC(=O)NC(CO)CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.46
▸ AURKB Q96GD4 1/20 0.46
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.36
▸ TAS1R3 Q7RTX0 5/20 0.35
▸ TAS1R1 Q7RTX1 5/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ RECQL P46063 1/20 0.33

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
SCHEMBL6139245 1.00 AURKA (0.46) AURKAAURKBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6138942 0.99 AURKA (0.45) AURKAAURKBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6138947 0.99 AURKA (0.45) AURKAAURKBLMNAHPGDSMN1; SMN2
SCHEMBL6139193 0.92 LMNA (0.49) AURKAAURKBLMNAHPGDSMN1; SMN2
SCHEMBL6139201 0.92 LMNA (0.49) AURKAAURKBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6138897 0.91 LMNA (0.48) AURKAAURKBLMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6138893 0.91 LMNA (0.48) AURKAAURKBLMNAHPGDSMN1; SMN2
SCHEMBL6095986 0.87 AURKA (0.45) AURKAAURKBLMNAHPGDSMN1; SMN2
SCHEMBL6093461 0.87 AURKA (0.45) AURKAAURKBLMNAHPGDSMN1; SMN2
SCHEMBL6093456 0.87 AURKA (0.45) AURKAAURKBLMNAHPGDSMN1; SMN2

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 disclosed
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
EP-1263712-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2002-12-11 — — EP disclosed
WO-2002074731-A1 3-(2,5-DIAMINOPHENYL)-ACRYLAMIDE DERIVATIVES AND COLOURING AGENTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-09-26 — — WO 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 AURKA 2777/4885AURKB 2806/4885LMNA 1024/4885

“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.

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