SCHEMBL997166

SCHEMBL997166

C=CCNC(=O)c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
SMN1; SMN2 Q16637 3/20 0.66
THRB P10828 1/20 0.66
LMNA P02545 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
Bromide SCHEMBL9033663 0.98 GAA (0.71) GAASMN1; SMN2THRBLMNAHPGD
SCHEMBL7839510 0.87 GAA (0.76) GAASMN1; SMN2THRBALDH1A1HDAC1
SCHEMBL19593551 0.85 THRB (0.68) GAASMN1; SMN2THRBLMNAALDH1A1
Ribose (Furanose) SCHEMBL502889 0.83 GAA (0.54) GAASMN1; SMN2THRBLMNAHPGD
SCHEMBL1233991 0.81 THRB (0.72) SMN1; SMN2THRBLMNAALDH1A1HDAC1
SCHEMBL25328235 0.81 THRB (0.77) GAASMN1; SMN2THRBALDH1A1HDAC1
SCHEMBL14415899 0.81 THRB (0.77) GAASMN1; SMN2THRBLMNAALDH1A1
SCHEMBL28489211 0.80 SMN1; SMN2 (1.00) GAASMN1; SMN2LMNAHPGDALDH1A1
N-Hydroxymethylnicotinamide SCHEMBL352358 0.80 THRB (1.00) SMN1; SMN2THRBLMNAALDH1A1HDAC1
SCHEMBL83922 0.79 HPGD (0.86) GAASMN1; SMN2LMNAHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2025-02-13 US claimed
US-20240423888-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2024-12-26 US claimed
CN-118871078-A Cosmetic or dermatological composition comprising at least a merocyanine and a hydrotrope 欧莱雅 2024-10-29 CN claimed
EP-4447895-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2024-10-23 EP claimed
CN-118804735-A Cosmetic and/or dermatological composition comprising at least one merocyanine and at least ascorbic acid and/or derivatives thereof 莱雅公司 2024-10-18 CN claimed
CN-117913224-A Negative electrode material, preparation method thereof and sodium ion battery 碳一新能源集团有限责任公司 2024-04-19 CN claimed
WO-2023110772-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE L'OREAL (FR) 2023-06-22 WO claimed
WO-2023110763-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF L'OREAL (FR) 2023-06-22 WO claimed
CN-109414382-B Cosmetic composition containing 4- (3-ethoxy-4-hydroxyphenyl) butan-2-one and niacinamide compound 莱雅公司 2021-12-10 CN claimed
CN-112315889-A Eye essence cream and preparation method thereof 姚佃文 2021-02-05 CN claimed
EP-3478253-B1 LIQUID MIXTURE CONTAINING 4-(3-ETHOXY-4-HYDROXYPHENYL)BUTAN-2-ONE, A NIACINAMIDE COMPOUND, AND COSMETIC COMPOSITION CONTAINING SAME OREAL (FR) 2020-02-12 EP claimed
EP-3362436-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS Universiteit Antwerpen (BE) 2018-08-22 EP claimed
WO-2017046133-A1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIVERSITEIT ANTWERPEN (BE) 2017-03-23 WO claimed
US-20110046724-A1 Expansible Biocompatible Coats Comprising a Biologically Active Substance AVIDAL VASCULAR GMBH (DE) 2011-02-24 US claimed
EP-2271396-A2 EXPANSIBLE BIOCOMPATIBLE COATS COMPRISING A BIOLOGICALLY ACTIVE SUBSTANCE Avidal Vascular Gmbh (DE) 2011-01-12 EP claimed
WO-2009121565-A2 EXPANSIBLE BIOCOMPATIBLE COATS COMPRISING A BIOLOGICALLY ACTIVE SUBSTANCE AVIDAL VASCULAR GMBH (DE) 2009-10-08 WO claimed
US-20050158271-A1 Pharmaceutical applications of hydrotropic polymer micelles AKINA, INC. 2005-07-21 US claimed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US claimed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 WO claimed
US-4204065-A Soft quaternary surface active agents and method of using same INTERX RESEARCH CORPORATION (US) 1980-05-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050158271-A1 Pharmaceutical applications of hydrotropic polymer micelles SLC46A1, SLC5A6, NAMPT GAA 905/4885SMN1; SMN2 1064/4885THRB 2096/4885
US-20240423888-A1 COSMETIC AND/OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST ONE MEROCYANINE AND AT LEAST ASCORBIC ACID AND/OR A DERIVATIVE THEREOF KRT18, PROC, DSC1 GAA 1075/4885SMN1; SMN2 4554/4885THRB 4707/4885
US-20250049674-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING AT LEAST A MEROCYANINE AND A HYDROTROPE NAPRT, NAMPT, NNMT GAA 1422/4885SMN1; SMN2 3761/4885THRB 4187/4885
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 GAA 2447/4885SMN1; SMN2 1806/4885THRB 4215/4885

“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.