SCHEMBL438057

SCHEMBL438057

CCc1[c]ccc([N+](=O)[O-])c1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.35
TDP1 Q9NUW8 4/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
ALPG P10696 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 1/20 0.33
PDK1 Q15118 1/20 0.33
TSHR P16473 5/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL456245 0.76 TDP1 (0.44) FBP1TDP1ALDH1A1LMNAMAPT
SCHEMBL15063992 0.73 ALDH1A1 (0.35) TDP1ALDH1A1MAPTPDK1TSHR
SCHEMBL8361517 0.72 TDP1 (0.58) FBP1TDP1ALDH1A1LMNAMAPT
SCHEMBL125379 0.72 GABRA1 (0.30)
SCHEMBL1965156 0.70
SCHEMBL8091152 0.69 PDK1 (0.42) FBP1TDP1ALDH1A1LMNAMAPT
SCHEMBL15063970 0.69 POLB (0.35) FBP1MAPTPDK1POLBHTT
SCHEMBL8348913 0.69 NOS3 (0.36)
SCHEMBL7779774 0.68 TDP1 (0.52) FBP1TDP1ALDH1A1MEN1KMT2A
SCHEMBL10662230 0.67 TXNRD1 (0.43) TDP1ALDH1A1LMNAMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736878-B2 Treatment of organophosphate exposure with triptans PFADENHAUER TINA (US) 2020-08-11 US disclosed
US-20200188403-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH OCINAPLON HELTON DAVID (US) 2020-06-18 US disclosed
US-20200085808-A1 USE OF CYPROHEPTADINE TO TREAT ORGANOPHOSPHATE EXPOSURE REPURPOSED THERAPEUTICS, INC. 2020-03-19 US disclosed
US-10478438-B2 Treatment of organophosphate exposure with ocinaplon CENOMED, INC. 2019-11-19 US disclosed
US-10398687-B2 Use of cyproheptadine to treat organophosphate exposure REPURPOSED THERAPEUTICS, INC. 2019-09-03 US disclosed
EP-2568807-B1 PHENOXYALKYL PYRIDINIUM OXIME THERAPEUTICS FOR TREATMENT OF ORGANOPHOSPHATE POISONING UNIV MISSISSIPPI STATE (US) 2018-07-11 EP disclosed
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
US-20170258774-A1 NOVEL OXIMES FOR REACTIVATING BUTYRYLCHOLINESTERASE MISSISSIPPI STATE UNIVERSITY (US) 2017-09-14 US disclosed
CN-106824277-A The method of cerium Base Metal-organic framework material catalyzing hydrolysis organic compound phosphatide key 中国科学院大连化学物理研究所 2017-06-13 CN disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
US-5792639-A ENZYMES AS ANTIDOTES FOR ORGANOPHOSPHOROUS INSECTICIDE POISONING HUMAN GENOME SCIENCES, INC. (US) 1998-08-11 US disclosed
EP-0804591-A4 SERUM PARAOXONASE HUMAN GENOME SCIENCES INC (US) 1998-07-29 EP disclosed
EP-0804591-A1 SERUM PARAOXONASE HUMAN GENOME SCIENCES, INC. (US) 1997-11-05 EP disclosed
US-5650413-A Derivatives of swainsonine, processes for their preparation and their use as therapeutic agents GLYCODESIGN INC. (US) 1997-07-22 US disclosed
US-5629193-A Paraoxonase HUMAN GENOME SCIENCES, INC. (US) 1997-05-13 US disclosed
US-5595872-A DNA SEQUENCES, CELLS AND EXPRESSION VECTORS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-01-21 US disclosed
WO-1996001322-A1 SERUM PARAOXONASE HUMAN GENOME SCIENCES, INC. (US) 1996-01-18 WO disclosed
US-4269820-A MIXTURE WITH TOXIC HERBICIDES, PESTICIDES AND INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-05-26 US disclosed
US-4240802-A PESTICIDES, HERBICIDES OR FUMIGANTS SOLUBLE IN SAID FUEL NICHOLS WALLACE H JR 1980-12-23 US disclosed
US-4173094-A Method for treating ground surfaces with a toxic agent NICHOLS WALLACE H JR 1979-11-06 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 (6 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-20200085808-A1 USE OF CYPROHEPTADINE TO TREAT ORGANOPHOSPHATE EXPOSURE BCHE, ACHE, DDT FBP1 2822/4885TDP1 392/4885ALDH1A1 3156/4885
US-20200188403-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH OCINAPLON PNPO, DDT, PON1 FBP1 1490/4885TDP1 68/4885ALDH1A1 1282/4885
US-10398687-B2 Use of cyproheptadine to treat organophosphate exposure BCHE, ACHE, DDT FBP1 2822/4885TDP1 392/4885ALDH1A1 3156/4885
US-20170258774-A1 NOVEL OXIMES FOR REACTIVATING BUTYRYLCHOLINESTERASE BCHE, ACHE, CHAT FBP1 1119/4885TDP1 315/4885ALDH1A1 1183/4885
US-10736878-B2 Treatment of organophosphate exposure with triptans DDT, THOP1, TPP1 FBP1 3532/4885TDP1 54/4885ALDH1A1 1032/4885
US-10478438-B2 Treatment of organophosphate exposure with ocinaplon PNPO, DDT, PON1 FBP1 1490/4885TDP1 68/4885ALDH1A1 1282/4885

“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.