SCHEMBL998521

SCHEMBL998521

O=C(NCc1ccccn1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.63
POLB P06746 2/20 0.63
RAB9A P51151 2/20 0.63
LMNA P02545 2/20 0.63
MGAM O43451 1/20 0.61
AMY1A P0DUB6 1/20 0.61
THRB P10828 1/20 0.60
ALOX15 P16050 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPK14 Q16539 1/20 0.59
TSHR P16473 1/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
CA2 P00918 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57

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
SCHEMBL29415439 1.00 NPC1 (0.63) NPC1POLBRAB9ALMNAMGAM
SCHEMBL166484 0.86 LMNA (0.82) NPC1POLBRAB9ALMNASMN1; SMN2
SCHEMBL14082531 0.85 LMNA (0.80) NPC1POLBRAB9ALMNAALOX15
Hydrochloric Acid SCHEMBL27843329 0.84 LMNA (0.80) NPC1POLBRAB9ALMNASMN1; SMN2
SCHEMBL31311411 0.84 THRB (0.59) NPC1RAB9ATHRBALOX15SMN1; SMN2
SCHEMBL949170 0.83 LMNA (0.73) NPC1POLBRAB9ALMNASMN1; SMN2
SCHEMBL19380041 0.83 TSHR (0.59) NPC1RAB9ALMNAALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL28309203 0.81 THRB (0.52) NPC1RAB9AMGAMAMY1ATHRB
SCHEMBL7078661 0.81 LMNA (0.66) NPC1POLBRAB9ALMNAALOX15
SCHEMBL12606939 0.80 MELK (0.62) NPC1POLBRAB9ALMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent SYMRISE AG (DE) 2026-02-12 US disclosed
US-20260034042-A1 Composition with Improved SPF and UVA Photoprotection SYMRISE AG (DE) 2026-02-05 US disclosed
EP-4676433-A1 LIQUID UV FILTER CONCENTRATE Symrise AG (DE) 2026-01-14 EP disclosed
EP-4676428-A1 LIQUID UV FILTER COMPOSITION CONTAINING DIOLS Symrise AG (DE) 2026-01-14 EP disclosed
WO-2025132951-A1 AQUEOUS COMPOSITION WITH A SENNOSIDE AND AT LEAST ONE HYDROTROPE AGENT L'OREAL (FR) 2025-06-26 WO disclosed
EP-2271396-A2 EXPANSIBLE BIOCOMPATIBLE COATS COMPRISING A BIOLOGICALLY ACTIVE SUBSTANCE Avidal Vascular Gmbh (DE) 2011-01-12 EP disclosed
US-20100016219-A1 Ophthalmic compositions containing solubilized cyclosporin ZHANG JERRY 2010-01-21 US disclosed
WO-2009121565-A2 EXPANSIBLE BIOCOMPATIBLE COATS COMPRISING A BIOLOGICALLY ACTIVE SUBSTANCE AVIDAL VASCULAR GMBH (DE) 2009-10-08 WO disclosed
US-20050158271-A1 Pharmaceutical applications of hydrotropic polymer micelles AKINA, INC. 2005-07-21 US disclosed
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 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 (5 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 NPC1 782/4885POLB 1931/4885RAB9A 4342/4885
US-20100016219-A1 Ophthalmic compositions containing solubilized cyclosporin FKBP8, SCARB1, FKBP2 NPC1 1915/4885POLB 4237/4885RAB9A 4326/4885
US-20260041094-A1 Compositions Comprising an Antimicrobial Boosting Agent TLR7, MYC, ERG28 NPC1 979/4885POLB 2297/4885RAB9A 2162/4885
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 NPC1 2518/4885POLB 2081/4885RAB9A 3957/4885
US-20260034042-A1 Composition with Improved SPF and UVA Photoprotection TYR, ERG28, CUTA NPC1 2686/4885POLB 615/4885RAB9A 1541/4885

“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.