SCHEMBL6139157

SCHEMBL6139157

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PLK1 P53350 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ SNCA P37840 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MCHR1 Q99705 4/20 0.40
▸ HTT P42858 1/20 0.38
▸ MCHR2 Q969V1 1/20 0.37
▸ MAOA P21397 2/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ MAOB P27338 1/20 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
SCHEMBL6138727 0.94 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6138731 0.94 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6139024 0.93 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6139022 0.93 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6095971 0.88 SNCA (0.55) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6095965 0.88 SNCA (0.55) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6094547 0.84 SNCA (0.55) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6094539 0.84 SNCA (0.55) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6138663 0.83 MAPT (0.55) MAPTMEN1KMT2ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6095276 0.83 SNCA (0.54) MAPTMEN1KMT2ASMN1; SMN2TDP1

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 MAPT 755/4885MEN1 4488/4885KMT2A 4214/4885

“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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