SCHEMBL2355829

SCHEMBL2355829

O=[N+]([O-])c1ccccc1Sc1cccc([S])c1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 1/20 0.42
PDE7B Q9NP56 2/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KDM4A O75164 1/20 0.40

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
SCHEMBL6930370 0.84 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL875772 0.82 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL31272173 0.82 PDE7A (0.78) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2360372 0.80 PDE7A (0.59) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL9775860 0.79 TSHR (0.59) SMN1; SMN2TSHRGPR35ALDH1A1TDP1
Fluoride SCHEMBL946835 0.77 TSHR (0.57) SMN1; SMN2TSHRGPR35ALDH1A1TDP1
SCHEMBL9709555 0.77 PDE7A (0.58) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL22133428 0.73 ALDH1A1 (0.65) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL3192750 0.73 GPR35 (0.57) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2417324 0.73 PDE7A (0.64) PDE7ASMN1; SMN2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560982-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION Chemgenes Corporation (US) 2013-02-27 EP disclosed
WO-2011103468-A2 PHOSPHORAMIDITES FOR SYNTHETIC RNA IN THE REVERSE DIRECTION CHEMGENES CORPORATION (US) 2011-08-25 WO disclosed
WO-2010134992-A2 SYNTHESIS LABILE BASE PROTECTED - MODIFIED DEOXY & MODIFIED RIBO NUCLEOSIDES, CORRESPONDING PHOSPHORAMIDITES AND SUPPORTS AND THEIR USE IN HIGH PURITY OLIGONUCLEOTIDE SYNTHESIS CHEMGENES CORPORATION (US) 2010-11-25 WO disclosed
WO-2010062404-A2 N-FMOC NUCLEOSIDES AND PHOSPHORAMIDITES, AND OLIGONUCLEOTIDE SYNTHESIS CHEMGENES CORPORATION (US) 2010-06-03 WO disclosed
US-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2007-03-08 US disclosed
EP-1003774-B1 GnRH ANTAGONISTS BEING MODIFIED IN POSITIONS 5 AND 6 FERRING BV (NL) 2006-03-08 EP disclosed
EP-0973801-B1 GnRH ANTAGONISTS FERRING BV (NL) 2002-12-18 EP disclosed
EP-0794959-B1 AMINO ACIDS FOR MAKING BETIDES AND METHODS OF SCREENING AND MAKING BETIDE LIBRARIES SALK INST FOR BIOLOGICAL STUDI (US) 2000-04-05 EP disclosed
EP-0973801-A1 GnRH ANTAGONISTS FERRING B.V. (NL) 2000-01-26 EP disclosed
US-5925730-A GnRH antagonists FERRING BV (NL) 1999-07-20 US disclosed
US-4652550-A INHIBITING RELEASE OF GONADOTROPINS; PEPTIDES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-03-24 US disclosed
EP-0201260-A2 GnRH antagonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-11-12 EP disclosed
US-4619914-A PEPTIDES WHICH INHIBIT GONADOTROPIN SECRETION-CONTRACEPTIVES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-10-28 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed
EP-0175506-A2 GnRH antagonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-03-26 EP disclosed
US-4569927-A INHIBITING SECRETION OF GONADOTROPINS AND STEROIDS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-02-11 US disclosed
US-4565804-A GnRH Antagonists VI THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-01-21 US disclosed
EP-0162575-A2 GnRH Antagonists VII THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1985-11-27 EP disclosed
EP-0122712-A2 GnRH antagonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1984-10-24 EP disclosed
US-4013791-A MEDICAL DIAGNOSIS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-22 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-20070054888-A1 NOVEL SUBSTITUTED DIAMINE DERIVATIVES USEFUL AS MOTILIN AGONISTS MLNR, NPY4R, GIPR PDE7A 827/4885SMN1; SMN2 2280/4885SLC6A2 753/4885

“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.