SCHEMBL6011504

SCHEMBL6011504

O=[N+]([O-])c1ccccc1Cc1nc(S)c2nc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
AR P10275 1/20 0.39
TSHR P16473 1/20 0.38
ENPP1 P22413 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 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
SCHEMBL6948818 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2CYP3A4LMNACYP2D6
SCHEMBL16147020 0.75 PDE4A (0.47) CYP1A2CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL10507124 0.71 AR (0.51) ALDH1A1CYP1A2CYP3A4LMNACYP2D6
SCHEMBL10506880 0.70 AR (0.51) ALDH1A1CYP1A2CYP3A4LMNACYP2C19
SCHEMBL4916438 0.68 EGFR (0.56) ALDH1A1CYP1A2CYP3A4LMNACYP2D6
SCHEMBL301933 0.67 ALDH1A1 (0.69) ALDH1A1ARTSHRKMT2AMEN1
SCHEMBL16146865 0.67 KDM4E (0.30) KDM4E
SCHEMBL10508062 0.66 AR (0.52) ALDH1A1CYP2C19ARTSHRENPP1
SCHEMBL8343552 0.66 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1ARTSHR
Ammonia Solution, Strong SCHEMBL10338964 0.66 ALDH1A1 (0.67) ALDH1A1ARTSHRKMT2AMEN1

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-20060253263-A1 Method to optimize drug selection, dosing and evaluation and to help predict therapeutic response and toxicity from immunosuppressant therapy MESHKIN BRIAN J 2006-11-09 US claimed
EP-4736889-A2 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS Yale University (US) 2026-05-06 EP disclosed
US-12576085-B2 Combination comprising an ATP analog and an adenosine receptor antagonist or a nucleobase/nucleoside analog for the treatment of cancer SAWYER MICHAEL BRUCE (CA) 2026-03-17 US disclosed
EP-4021496-B1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS UNIV YALE (US) 2025-12-17 EP disclosed
US-12485180-B2 Compositions and methods for delivery of nucleic acids to cells YALE UNIVERSITY (US) 2025-12-02 US disclosed
US-20240285774-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS YALE UNIVERSITY (US) 2024-08-29 US disclosed
US-20240285775-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS YALE UNIVERSITY (US) 2024-08-29 US disclosed
US-20240190998-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF NUCLEIC ACIDS TO CELLS YALE UNIVERSITY 2024-06-13 US disclosed
US-12005121-B2 Compositions and methods for delivery of nucleic acids to cells YALE UNIVERSITY (US) 2024-06-11 US disclosed
EP-3782636-B1 RAPADOCINS, INHIBITORS OF EQUILIBRATIVE NUCLEOSIDE TRANSPORTER 1 AND USES THEREOF UNIV JOHNS HOPKINS (US) 2024-05-15 EP disclosed
US-20120151635-A1 METHODS OF AFFECTING NITROGEN ASSIMILATION IN PLANTS NEW YORK UNIVERSITY 2012-06-14 US disclosed
US-20060253263-A1 Method to optimize drug selection, dosing and evaluation and to help predict therapeutic response and toxicity from immunosuppressant therapy MESHKIN BRIAN J 2006-11-09 US disclosed
US-20050256034-A1 Dioxolane analogs for improved inter-cellular delivery ATTARDO GIORGIO 2005-11-17 US disclosed
EP-1324997-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY Shire Biochem Inc. (CA) 2003-07-09 EP disclosed
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SHIRE BIOCHEM INC. (CA) 2003-01-16 US disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
WO-2002030922-A2 DIOXOLANE ANALOGS FOR IMPROVED INTER-CELLULAR DELIVERY SHIRE BIOCHEM INC. (CA) 2002-04-18 WO disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 WO 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 (3 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-20050256034-A1 Dioxolane analogs for improved inter-cellular delivery SLC19A1, SLC29A1, SLC29A2 ALDH1A1 367/4885CYP1A2 2032/4885CYP3A4 3640/4885
US-12576085-B2 Combination comprising an ATP analog and an adenosine receptor antagonist or a nucleobase/nucleoside analog for the treatment of cancer ADORA2A, ADORA2B, ABCG2 ALDH1A1 3132/4885CYP1A2 2362/4885CYP3A4 1770/4885
US-20030013660-A1 Dioxolane analogs for improved inter-cellular delivery SLC19A1, SLC29A1, SLC29A2 ALDH1A1 329/4885CYP1A2 2007/4885CYP3A4 3624/4885

“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.