SCHEMBL6138958

SCHEMBL6138958

Nc1ccc(NC(=O)C=Cc2cc(N)ccc2N(CCO)CCO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.43
▸ SNCA P37840 2/20 0.42
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MMP1 P03956 3/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP9 P14780 3/20 0.37

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
SCHEMBL6138731 0.84 MAPT (0.45) KDM1ASNCAMAPTKMT2AMEN1
SCHEMBL6138727 0.84 MAPT (0.45) KDM1ASNCAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6139024 0.83 MAPT (0.44) KDM1ASNCAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6139022 0.83 MAPT (0.44) KDM1ASNCAMAPTKMT2AMEN1
SCHEMBL6094547 0.83 SNCA (0.55) KDM1ASNCAMAPTKMT2AMEN1
SCHEMBL6094539 0.83 SNCA (0.55) KDM1ASNCAMAPTKMT2AMEN1
SCHEMBL6139030 0.83 ALDH1A1 (0.41) MAPTKMT2AMEN1SMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6095276 0.82 SNCA (0.54) KDM1ASNCAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL6095284 0.82 SNCA (0.54) KDM1ASNCAMAPTKMT2AMEN1
SCHEMBL6139203 0.82 KDM1A (0.49) KDM1ASNCAMAPTKMT2AMEN1

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 KDM1A 3571/4885SNCA 1795/4885MAPT 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.

Send feedback