SCHEMBL13653936

SCHEMBL13653936

[N-]=[N+]=Nc1ccc(CCO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP51A1 Q16850 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CA1 P00915 2/20 0.41
▸ CA5A P35218 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA5B Q9Y2D0 2/20 0.41
▸ PTGS2 P35354 3/20 0.40
▸ CA12 O43570 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38

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
SCHEMBL14080289 0.88 TP53 (0.43) CA2TP53CYP51A1CA1CA5A
SCHEMBL30874461 0.87 CYP51A1 (0.49) CA2TP53CYP51A1CA1CA5A
Ammonia Solution, Strong SCHEMBL28172254 0.86 TP53 (0.42) CA2TP53CYP51A1CA1CA5A
SCHEMBL13449507 0.83 TP53 (0.48) CA2TP53CYP51A1CA1CA5A
SCHEMBL26220277 0.79 NOS3 (0.50) CA2TP53CYP51A1TDP1KDM4E
SCHEMBL15290259 0.79 PTGS2 (0.44) CA2TP53CYP51A1CA1CA5A
SCHEMBL20552585 0.79 CYP51A1 (0.44) CA2TP53CYP51A1CA1CA5A
SCHEMBL30906028 0.79 CYP51A1 (0.44) CA2TP53CYP51A1CA1CA5A
SCHEMBL15590856 0.78 CYP51A1 (0.49) CA2TP53CYP51A1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL19925268 0.78 NOS3 (0.52) CA2TP53CYP51A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250090672-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2025-03-20 — — US disclosed
US-12171837-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2024-12-24 — — US disclosed
CN-117903297-A Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides 柏林合作研究学会 2024-04-19 — — CN disclosed
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN EV (DE) 2023-11-02 — — US disclosed
CN-109689112-B Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides 柏林合作研究学会 2023-10-13 — — CN disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — US disclosed
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates FORSCHUNGSVERBUND BERLIN E.V. (DE) 2023-09-05 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 — — US disclosed
US-20090269555-A1 SURFACE NANOPATTERNING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — US disclosed
US-20090269555-A1 SURFACE NANOPATTERNING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-10-29 — — US disclosed
US-7524408-B2 photoreduction of an azide, photodecarbozylation of a carboxylic acid, photodenitrogenation and Wolff rearrangement of a diazoketone, and the photoreduction of an aromatic nitrocompound; charged nanoparticle from CdS and CdSe compounds as path-directable nanoparticle; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-28 — — US disclosed
US-7524408-B2 photoreduction of an azide, photodecarbozylation of a carboxylic acid, photodenitrogenation and Wolff rearrangement of a diazoketone, and the photoreduction of an aromatic nitrocompound; charged nanoparticle from CdS and CdSe compounds as path-directable nanoparticle; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-28 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 — — 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-12171837-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP CA2 4473/4885TP53 3347/4885CYP51A1 3379/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 CA2 2606/4885TP53 1652/4885CYP51A1 508/4885
US-20230348529-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP CA2 4473/4885TP53 3347/4885CYP51A1 3379/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC CA2 3768/4885TP53 2788/4885CYP51A1 608/4885
US-20250090672-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES PFAS, PHOSPHO1, PNKP CA2 4473/4885TP53 3347/4885CYP51A1 3379/4885
US-11746124-B2 Chemoselective thiol-conjugation with alkene or alkyne-phosphonamidates PFAS, PHOSPHO1, PNKP CA2 4473/4885TP53 3347/4885CYP51A1 3379/4885

“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.

Send feedback