SCHEMBL95449

SCHEMBL95449

Nc1cc(N)c(O)c(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
ALDH1A1 P00352 6/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
PTK2 Q05397 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CASP7 P55210 1/20 0.37
CYP3A4 P08684 4/20 0.35
ALOX15 P16050 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
HIF1A Q16665 1/20 0.35

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
Methylamine SCHEMBL27708676 0.94 ALDH1A1 (0.46) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL8222176 0.84 THRB (0.43) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL11388269 0.84 ALDH1A1 (0.56) THRBALDH1A1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL28229048 0.82 THRB (0.42) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL6687463 0.80 THRB (0.75) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL21695780 0.80 GAA (0.50) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL1285862 0.80 ALDH1A1 (0.65) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL2200370 0.79 BACE1 (0.47) THRBALDH1A1GAAMAPTKDM4E
SCHEMBL18909536 0.79 ALDH1A1 (0.43) THRBALDH1A1GAAMAPTKDM4E
Hydrochloric Acid SCHEMBL10494933 0.76 BACE1 (0.44) THRBALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025262615-A1 ANTIOXIDANTS CONTAINING DIAZIRINE FUNCTIONALITIES, COMPOSITIONS COMPRISING THEM AND USE THEREOF BELLARE ANUJ (US) 2025-12-26 WO claimed
US-10786805-B2 Cadmium sulfide quantum dots NORTHWESTERN UNIVERSITY (US) 2020-09-29 US claimed
US-20160288106-A1 CADMIUM SULFIDE QUANTUM DOTS UNITED STATES DEPARTMENT OF ENERGY 2016-10-06 US claimed
WO-2016153989-A1 CADMIUM SULFIDE QUANTUM DOTS NORTHWESTERN UNIVERSITY (US) 2016-09-29 WO claimed
CN-105017525-A Branched modifier and corresponding flame retardant nylon resin ZHUZHOU TIMES NEW MAT TECH CO 2015-11-04 CN claimed
CN-104710614-A Preparation method of branched nylon resin UNIV XIANGTAN 2015-06-17 CN claimed
WO-2025262615-A1 ANTIOXIDANTS CONTAINING DIAZIRINE FUNCTIONALITIES, COMPOSITIONS COMPRISING THEM AND USE THEREOF BELLARE ANUJ (US) 2025-12-26 WO disclosed
EP-4573154-A1 USE OF ADDITIVES FOR IMPROVING THE PROCESSING OF POLYETHYLENES BASF SE (DE) 2025-06-25 EP disclosed
CN-119731255-A Use of additives for improving the processing of polyethylene 巴斯夫欧洲公司 2025-03-28 CN disclosed
US-20250054999-A1 FIRED BODY AND FUEL CELL USING THE FIRED BODY NISSAN CHEMICAL CORPORATION (JP) 2025-02-13 US disclosed
WO-2025021592-A1 RECYCLING OF POLYOLEFIN WASTE BY ADDING A AMIDE CLARIFIER BASF SE (DE) 2025-01-30 WO disclosed
US-20240328014-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS THE UNIVERSITY OF TOKYO (JP) 2024-10-03 US disclosed
WO-2024037851-A1 USE OF ADDITIVES FOR IMPROVING THE PROCESSING OF POLYETHYLENES BASF SE (DE) 2024-02-22 WO disclosed
US-4066504-A INSOLUBILITY, IMMOBILIZED ENZYMES GIVAUDAN CORPORATION (US) 1978-01-03 US disclosed
US-4056392-A DIFFUSION, COLOR PHOTOGRAPHY POLAROID CORPORATION (US) 1977-11-01 US disclosed
US-4049450-A FOR SILVER HALIDE EMULSIONS POLAROID CORPORATION (US) 1977-09-20 US disclosed
US-4040832-A SILVER HALIDE EMULSIONS POLAROID CORPORATION (US) 1977-08-09 US disclosed
US-4004053-A FIREPROOFING ACRYLONITRILE POLYMERS CELANESE CORPORATION (US) 1977-01-18 US disclosed
US-3990895-A Silver halide, color screen elements and their use in forming negative color images and diffusion transfer positive silver images POLAROID CORPORATION (US) 1976-11-09 US disclosed
US-3974041-A Image recording member with zeolitic water containing compounds CANON KABUSHIKI KAISHA (JA) 1976-08-10 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 (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-10786805-B2 Cadmium sulfide quantum dots AS3MT, TST, SQOR THRB 3150/4885ALDH1A1 486/4885GAA 1035/4885
US-20240328014-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS ASNS, ASS1, CPS1 THRB 3733/4885ALDH1A1 1063/4885GAA 883/4885

“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.