SCHEMBL1344936

SCHEMBL1344936

CCCN(CCC)C(=O)CC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MCL1 Q07820 4/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 2/20 0.36
TP53 P04637 1/20 0.36
ZDHHC20 Q5W0Z9 2/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CA1 P00915 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
P2RX1 P51575 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL1962379 0.87 CA12 (0.47) ALDH1A1HPGDCA12CA2CA9
SCHEMBL1961541 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1958529 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1959382 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1959024 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1961902 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL14120555 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1960834 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1958219 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20
SCHEMBL1961548 0.84 ZDHHC20 (0.54) CA12CA2CA9MCL1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220313835-A1 AMINOQUINOLINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2022-10-06 US disclosed
EP-4025254-A1 AMINOQUINOLINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2022-07-13 EP disclosed
CN-114630684-A Aminoquinoline compounds, immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2022-06-14 CN disclosed
WO-2021046112-A1 AMINOQUINOLINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2021-03-11 WO disclosed
WO-2021046112-A1 AMINOQUINOLINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2021-03-11 WO disclosed
WO-2019079649-A1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2019-04-25 WO disclosed
WO-2017095898-A1 USES OF PYRIMIDO-PYRIMIDAZINONES TO TREAT CANCER ASANA BIOSCIENCES, LLC (US) 2017-06-08 WO disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
US-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090133716-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058278-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
WO-2008068392-A1 NOVEL IMIDAZO[1,2-A]PYRIDINE-3-YLAMINE FLUOROPHORE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-06-12 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 (2 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-20090137191-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS PADI2, PADI4, PADI3 ALDH1A1 3030/4885HPGD 721/4885CA12 781/4885
US-20220313835-A1 AMINOQUINOLINE COMPOUNDS, IMMUNOCONJUGATES, AND USES THEREOF QPCT, CD47, IDO1 ALDH1A1 724/4885HPGD 2204/4885CA12 1215/4885

“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.