SCHEMBL1036342

SCHEMBL1036342

O=[N+]([O-])CC(SC(C[N+](=O)[O-])c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.66
MAPT P10636 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
KDM4E B2RXH2 1/20 0.66
APOBEC3G Q9HC16 1/20 0.66
NPC1 O15118 2/20 0.50
ADAM17 P78536 1/20 0.50
CPA1 P15085 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SERPINH1 P50454 2/20 0.43
HSP90AA1 P07900 1/20 0.43
AGTR1 P30556 1/20 0.43
ATM Q13315 1/20 0.43
CNR1 P21554 5/20 0.42
CNR2 P34972 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL4725978 1.00 MAPK1 (0.66) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7254921 0.84 NPSR1 (0.50) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL28551820 0.83 MAPK1 (0.65) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7258520 0.80 MAPT (0.54) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7606406 0.80 MAPT (0.47) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7606395 0.79 MAPT (0.52) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL9202581 0.79 NPC1 (0.56) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7254995 0.78 MAPT (0.45) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL7255304 0.78 MAPK1 (0.51) MAPK1MAPTNPSR1TDP1KDM4E
SCHEMBL29045032 0.78 MAPT (0.66) MAPK1MAPTNPSR1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072713-B2 Bugphobic and icephobic compositions with fluid additives HRL LABORATORIES, LLC (US) 2021-07-27 US claimed
US-20190023910-A1 BUGPHOBIC AND ICEPHOBIC COMPOSITIONS WITH FLUID ADDITIVES HRL LABORATORIES, LLC 2019-01-24 US claimed
US-5635371-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-06-03 US claimed
US-11859098-B2 Formulas and methods for making shelf-stable antimicrobial biphasic polymers HRL LABORATORIES, LLC (US) 2024-01-02 US disclosed
EP-3645655-B1 POLYMER LIQUID COMPOSITES FOR IMPROVED ANTI-FOULING PERFORMANCE HRL LAB LLC (US) 2023-09-27 EP disclosed
EP-4165112-A1 FAST-ACTING ANTIMICROBIAL SURFACES, AND METHODS OF MAKING AND USING THE SAME HRL LABORATORIES, LLC (US) 2023-04-19 EP disclosed
US-20230097289-A1 SENSORS FOR ANTIMICROBIAL BIPHASIC POLYMERS, AND SYSTEMS AND METHODS INCORPORATING THE SAME HRL LABORATORIES, LLC 2023-03-30 US disclosed
US-20230090180-A1 FORMULAS AND METHODS FOR MAKING SHELF-STABLE ANTIMICROBIAL BIPHASIC POLYMERS HRL LABORATORIES, LLC 2023-03-23 US disclosed
US-20220225608-A1 FAST-ACTING ANTIMICROBIAL SURFACES, AND METHODS OF MAKING AND USING THE SAME HRL LABORATORIES, LLC 2022-07-21 US disclosed
US-11369109-B2 Fast-acting antimicrobial surfaces, and methods of making and using the same HRL LABORATORIES, LLC (US) 2022-06-28 US disclosed
WO-2021252007-A1 FAST-ACTING ANTIMICROBIAL SURFACES, AND METHODS OF MAKING AND USING THE SAME HRL LABORATORIES, LLC (US) 2021-12-16 WO disclosed
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain PURDUE PHARMA L.P. 2004-01-08 US disclosed
WO-2003066595-A2 2 - PIPERAZINE - PYRIDINES USEFUL FOR TREATING PAIN EURO-CELTIQUE S.A. (LU) 2003-08-14 WO disclosed
EP-0651761-B1 METHOD FOR MODIFICATION OF RECOMBINANT POLYPEPTIDES BIONEBRASKA INC (US) 2002-10-09 EP disclosed
EP-1170300-A1 Method for modification of recombinant polypeptides BIONEBRASKA, INC. (US) 2002-01-09 EP disclosed
US-5656456-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-08-12 US disclosed
US-5635371-A Chemical method for selective modification of the N- and/or C-terminal amino acid α-carbon reactive group of a recombinant polypeptide or a portion thereof BIONEBRASKA, INC. (US) 1997-06-03 US disclosed
US-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US disclosed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 US disclosed
EP-0222889-B1 CYTIDINE ANALOGS AMOCO CORP (US) 1993-10-27 EP 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 (4 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-20220225608-A1 FAST-ACTING ANTIMICROBIAL SURFACES, AND METHODS OF MAKING AND USING THE SAME ACE2, ACE, BST2 MAPK1 3588/4885MAPT 2596/4885NPSR1 3715/4885
US-11072713-B2 Bugphobic and icephobic compositions with fluid additives FUS, IGF2BP1, IGF2BP3 MAPK1 2725/4885MAPT 211/4885NPSR1 3140/4885
US-20040006091-A1 Therapeutic agents useful for treating or preventing pain OPRK1, OPRL1, OPRD1 MAPK1 3114/4885MAPT 3966/4885NPSR1 76/4885
US-11369109-B2 Fast-acting antimicrobial surfaces, and methods of making and using the same ACE2, ACE, BST2 MAPK1 3594/4885MAPT 2632/4885NPSR1 3761/4885

“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.