SCHEMBL3384539

SCHEMBL3384539

O=[N+]([O-])c1[c]nc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 3/20 0.40
CYP3A4 P08684 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
NQO2 P16083 1/20 0.38
CYP1A2 P05177 1/20 0.38
HTT P42858 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 4/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPRT1 P00492 1/20 0.35
CASP6 P55212 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
SCHEMBL645287 0.69 CYP3A4 (0.42) ALDH1A1KMT2ARAB9AMEN1MAPT
Acridine SCHEMBL27545385 0.69 RAB9A (0.63) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL28818163 0.69 RAB9A (0.54) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL269884 0.68 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL7060124 0.68 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMAPTGLA
Acridine SCHEMBL2772852 0.68 ALDH1A1 (0.65) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL584784 0.68 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMAPTGLA
SCHEMBL521935 0.68 NQO2 (0.46) ALDH1A1KMT2ARAB9AMEN1MAPT
SCHEMBL558480 0.68 ALDH1A1 (0.46) ALDH1A1KMT2ARAB9AMAPTGLA
SCHEMBL641339 0.68 ALDH1A1 (0.47) ALDH1A1KMT2ARAB9AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403932-A Phosphoramidates useful as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-04-04 US claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US claimed
EP-0418292-A4 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS 1991-09-25 EP claimed
EP-0418292-A1 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-03-27 EP claimed
WO-1989011484-A1 PHOSPHORAMIDES USEFUL AS ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1989-11-30 WO claimed
US-4457866-A MEDICAL DIAGNOSIS BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1984-07-03 US claimed
EP-0025190-B1 CHROMOGENIC COMPOUNDS AND THEIR USE AS ENZYMATIC SUBSTRATES BEHRINGWERKE Aktiengesellschaft (DE) 1984-06-13 EP claimed
US-4247454-A Novel chromogenic thrombin substrates AB KABI (SE) 1981-01-27 US claimed
US-4214049-A SPECTROPHOTOMETRIC ANALYSIS OF HYDROLYSIS PRODUCTS AB KABI (SE) 1980-07-22 US claimed
US-4169015-A PHENYLALANINE OR TYROSINE-AZEIDINE CARBOXYLIC ACID, PROLINE OR PIPECOLINIC ACID-ARGININE-CHROMOPHORE, SPECTROPHOTOMETRIC ANALYSIS OF ENZYMATIC HYDROLYSIS AB KABI (SE) 1979-09-25 US claimed
US-4162941-A CONTACTING WITH A PEPTIDE SUBSTRATE AND MEASURING THE ENZYMATIC HYDROLYSIS AB KABI (SE) 1979-07-31 US claimed
US-4137225-A SPECIFIC FOR SERINE PROTEASE, ENANTIOMORPHS AB KABI (SE) 1979-01-30 US claimed
US-4072576-A Method for studying enzymatic and other biochemical reactions AB KABI (SW) 1978-02-07 US claimed
US-4028318-A FOR SERINE PROTEASES A B KABI (SW) 1977-06-07 US claimed
EP-1984366-B1 3, 9-DIAZABICYCLO Ý3.3. 1¨NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-12-15 EP disclosed
US-7687517-B2 3,9-Diazabicyclo [3.3.1] nonane derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2010-03-30 US disclosed
US-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors DANPET AB (SE) 2008-12-11 US disclosed
US-4028318-A FOR SERINE PROTEASES A B KABI (SW) 1977-06-07 US disclosed
US-4028318-A FOR SERINE PROTEASES A B KABI (SW) 1977-06-07 US disclosed
US-3886136-A New substrates for diagnostic use, with high susceptibility to trypsin and other proteolytic enzymes of the type peptide peptidohydrolases BOFORS AB 1975-05-27 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-20080306078-A1 3,9-Diazabicyclo [3.3.1] Nonane Derivatives and Their Use as Monoamine Neurotransmitter Re-Uptake Inhibitors SLC18A2, SLC6A2, SLC18A3 ALDH1A1 608/4885KMT2A 2224/4885RAB9A 677/4885

“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.