SCHEMBL458167

SCHEMBL458167

Nn1nnc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
THPO P40225 1/20 0.45
CYP4Z1 Q86W10 1/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
LMNA P02545 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
HTT P42858 1/20 0.38
CSNK1A1 P48729 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL8659186 0.77 NPC1 (0.44) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL822713 0.75 KEAP1 (0.45) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL28147085 0.75 CDC7 (0.45) SMN1; SMN2NPC1RAB9ACLK4CDC7
SCHEMBL44422 0.73 NPC1 (0.65) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL28572130 0.72 NPC1 (0.62) ALDH1A1CYP1A2CYP2C9KMT2ASMN1; SMN2
SCHEMBL9546826 0.72 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1
SCHEMBL19449451 0.71 SMN1; SMN2 (0.45) ALDH1A1CYP1A2KMT2ASMN1; SMN2NPC1
SCHEMBL19454799 0.71 SLC9A1 (0.50) KMT2ACLK4MEN1KDM4ECDC7
SCHEMBL28326474 0.71 CDC7 (0.44) CLK4CDC7PLK4AURKAMAPK13
SCHEMBL14643897 0.69 SMN1; SMN2 (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104919-A With curing retardant or flame retardant triazole compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-04-14 US claimed
US-12630740-B2 Compositions containing thermally conductive fillers PPG INDUSTRIES OHIO, INC. (US) 2026-05-19 US disclosed
EP-4136139-B1 USE OF A COATING FORMED FROM A COMPOSITION CONTAINING THERMALLY CONDUCTIVE FILLERS TO PROVIDE A SUBSTRATE WITH THERMAL AND FIRE PROTECTION PPG IND OHIO INC (US) 2025-08-20 EP disclosed
EP-4136136-B1 CONTROLLING CURE RATE WITH WETTED FILLER PRC DESOTO INT INC (US) 2025-01-29 EP disclosed
WO-2024248935-A1 COMPOSITIONS CONTAINING THERMALLY CONDUCTIVE FILLER AND THERMALLY EXPANDABLE MATERIAL PPG INDUSTRIES OHIO, INC. (US) 2024-12-05 WO disclosed
EP-3765569-B1 LOW COMPRESSION SET SILICON RUBBER COMPOSITION MOMENTIVE PERFORMANCE MAT GMBH (DE) 2024-08-28 EP disclosed
CN-115698153-B Composition containing heat conductive filler PPG工业俄亥俄公司 2024-07-30 CN disclosed
US-11993715-B2 Low compression set silicon rubber composition MOMENTIVE PERFORMANCE MATERIALS GMBH (DE) 2024-05-28 US disclosed
CN-114829476-B Composition containing heat conductive filler PPG工业俄亥俄公司 2024-04-12 CN disclosed
CN-115702187-B Composition, cured composition and part comprising cured composition PRC-迪索托国际公司 2024-02-13 CN disclosed
US-6143917-A FROM A DIARYL CARBONATE AND AN AMINE COMPOUND HAVING AT LEAST ONE HYDROGEN ATOM LOCATED AT AN N-POSITION UNDER MODERATE CONDITIONS AT A HIGH REACTION RATE WITH A HIGH SELECTIVITY AND WITH A HIGH YIELD UBE INDUSTRIES, LTD. (JP) 2000-11-07 US disclosed
EP-0902014-A1 PROCESS FOR PRODUCING ARYL CARBAMATES UBE INDUSTRIES LIMITED (JP) 1999-03-17 EP disclosed
EP-0732373-A1 Curable silicone composition Dow Corning Toray Silicone Company Limited (JP) 1996-09-18 EP disclosed
US-5397072-A Improved high speed transfer of data, magnetic tape cassettes MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-14 US disclosed
EP-0388201-B1 Curable silicone composition SHINETSU CHEMICAL CO (JP) 1994-12-14 EP disclosed
US-5104919-A With curing retardant or flame retardant triazole compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-04-14 US disclosed
EP-0388201-A2 Curable silicone composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1990-09-19 EP disclosed
US-4310444-A POLYSILOXANES, SILICA, PLATINUM OR PLATINUM COMPOUND, FATTY ACID OR ITS SALT AND A PEROXIDE TORAY SILICONE COMPANY, LTD. (JP) 1982-01-12 US disclosed
US-4156674-A PLATINUM OR COMPOUND THEREOF, CARBON BLACK AND A TRIAZOLE FOR SELF-EXTINGUISHING CHARACTER, CURING CATALYST AND A SILICON CONTAINING CROSSLINKER TORAY SILICONE COMPANY, LTD. (JP) 1979-05-29 US disclosed
US-4087399-A ORGANO-POLYSILOXANE, SILICA FILLER, PLATINUM, CARBON BLACK, TITANIUM DIOXIDE, AND TRIAZOLE COMPOUND TORAY SILICONE COMPANY, LTD. (JA) 1978-05-02 US 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-12630740-B2 Compositions containing thermally conductive fillers ATP5MK, ITGAM, HNRNPM ALDH1A1 387/4885CYP1A2 1851/4885CYP3A4 1775/4885

“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.