SCHEMBL30100539

SCHEMBL30100539

Nc1cc(Cl)c(NCC(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
GLA P06280 1/20 0.46
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.33
BCL6 P41182 1/20 0.33
BCOR Q6W2J9 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
SCHEMBL111665 1.00 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL1136820 0.88 MAPT (0.48) MAPTGLAALDH1A1MEN1KMT2A
SCHEMBL14395463 0.86 MAPT (0.56) MAPTALDH1A1CYP3A4ADRB2MEN1
SCHEMBL10716987 0.85 MAPT (0.48) MAPTGLAALDH1A1MEN1KMT2A
SCHEMBL10758961 0.84 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL9686988 0.84 MAPT (0.54) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL109941 0.84 MAPT (0.58) MAPTGLAALDH1A1CYP3A4ADRB2
SCHEMBL8349564 0.82 MAPT (0.55) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL10756290 0.82 MAPT (0.48) MAPTGLAALDH1A1CYP3A4MEN1
SCHEMBL23909 0.81 MAPT (0.51) MAPTALDH1A1CYP3A4MEN1KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637352-A2 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2025-10-29 EP disclosed
EP-4598500-A1 COMBINATION COMPRISING A GLUCAMIDE AND A CO-EMULSIFIER CLARIANT INTERNATIONAL LTD (CH) 2025-08-13 EP disclosed
US-20250213444-A1 COMPOSITION FOR ENHANCING KERATIN FIBERS WELLA GERMANY GMBH (DE) 2025-07-03 US disclosed
EP-4574216-A2 COMPOSITION FOR ENHANCING KERATIN FIBERS Wella Germany GmbH (DE) 2025-06-25 EP disclosed
WO-2025108737-A1 COSMETIC COMPOSITIONS COMPRISING A POLYMER AND A SURFACTANT CLARIANT INTERNATIONAL LTD (CH) 2025-05-30 WO disclosed
EP-4557953-A1 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2025-05-28 EP disclosed
EP-3735827-B1 COMPOSITION FOR INHIBITING MICRO-ORGANISMS CLARIANT INT LTD (CH) 2025-04-09 EP disclosed
EP-4499129-A1 COMPOSITION FOR ENHANCING KERATIN FIBERS Wella Germany GmbH (DE) 2025-02-05 EP disclosed
WO-2025003367-A1 VITAMIN COMPOSITION FOR USE IN COSMETIC FORMULATIONS CLARIANT INTERNATIONAL LTD (CH) 2025-01-02 WO disclosed
US-20240415751-A1 WATER REDUCED COMPACT SHAMPOO COMPOSITION WELLA GERMANY GMBH (DE) 2024-12-19 US disclosed
WO-2023247803-A2 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2023-12-28 WO disclosed
WO-2023227802-A1 ANTIMICROBIAL COMBINATIONS CLARIANT INTERNATIONAL LTD (CH) 2023-11-30 WO disclosed
WO-2023180560-A1 COMPOSITION FOR ENHANCING KERATIN FIBERS WELLA GERMANY GMBH (DE) 2023-09-28 WO disclosed
CN-110300573-B Use of biobased polymers in cosmetic, dermatological or pharmaceutical compositions 科莱恩国际有限公司 2023-07-25 CN disclosed
WO-2023099681-A1 WATER-SOLUBLE AND/OR WATER-SWELLABLE HYBRID POLYMER CLARIANT INTERNATIONAL LTD (CH) 2023-06-08 WO disclosed
WO-2023066502-A1 WATER REDUCED COMPACT CONDITIONER COMPOSITION WELLA GERMANY GMBH (DE) 2023-04-27 WO disclosed
WO-2023066503-A1 WATER REDUCED COMPACT SHAMPOO COMPOSITION WELLA GERMANY GMBH (DE) 2023-04-27 WO disclosed
WO-2023067173-A1 WATER REDUCED COMPACT CONDITIONER COMPOSITION WELLA GERMANY GMBH (DE) 2023-04-27 WO disclosed
WO-2023067176-A1 WATER REDUCED COMPACT SHAMPOO COMPOSITION WELLA GERMANY GMBH (DE) 2023-04-27 WO disclosed
WO-2023274887-A1 BIO-BASED ISETHIONATE COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2023-01-05 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 (2 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-20250213444-A1 COMPOSITION FOR ENHANCING KERATIN FIBERS KRT18, DSG1, CUTA MAPT 1716/4885GLA 583/4885ALDH1A1 710/4885
US-20240415751-A1 WATER REDUCED COMPACT SHAMPOO COMPOSITION PSAP, POLR1C, AQP3 MAPT 2215/4885GLA 314/4885ALDH1A1 4719/4885

“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.