SCHEMBL19586325

SCHEMBL19586325

N#Cc1cccc(-c2cn(C3CCCC3)c3cc([N+](=O)[O-])ccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.40
ASH1L Q9NR48 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM1A O60341 3/20 0.38
BRD4 O60885 1/20 0.37
SCN9A Q15858 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
P2RX7 Q99572 1/20 0.35
LMNA P02545 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL30593664 1.00 ABCG2 (0.40) ABCG2ASH1LKCNJ1KCNH2KDM1A
SCHEMBL31194993 0.89 ABCG2 (0.37) ABCG2ASH1LKCNJ1KCNH2KDM1A
SCHEMBL20971570 0.89 ABCG2 (0.37) ABCG2ASH1LKCNJ1KCNH2KDM1A
SCHEMBL4106338 0.89 KDM1A (0.40) ABCG2ASH1LKCNJ1KCNH2KDM1A
SCHEMBL19586454 0.82 KDM1A (0.45) ASH1LKDM1ABRD4DGAT2
SCHEMBL30593682 0.82 KDM1A (0.45) ASH1LKDM1ABRD4DGAT2
SCHEMBL1631169 0.80 DYRK1A (0.43) ABCG2ASH1LKCNJ1KCNH2KDM1A
SCHEMBL28596296 0.79 ALDH1A1 (0.47) SIRT2ALDH1A1POLBLMNA
SCHEMBL12996890 0.77 ALDH1A1 (0.47) SIRT2ALDH1A1POLBLMNA
SCHEMBL30593659 0.74 ASH1L (0.44) ABCG2ASH1LKCNJ1KCNH2KDM1A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240245645-A1 ASH1L INHIBITORS AND METHODS AND TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-25 US disclosed
US-11883381-B2 ASH1L inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-01-30 US disclosed
CN-109414596-B ASH1L inhibitors and methods of treatment therewith 密歇根大学董事会 2023-09-29 CN disclosed
EP-3454945-B1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH UNIV MICHIGAN REGENTS (US) 2022-01-19 EP disclosed
US-20190142799-A1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-16 US disclosed
EP-3454945-A1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH The Regents Of The University Of Michigan (US) 2019-03-20 EP disclosed
CN-109414596-A ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH 密歇根大学董事会 2019-03-01 CN disclosed
WO-2017197240-A1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-11-16 WO disclosed
WO-2017197240-A1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-11-16 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-20190142799-A1 ASH1L INHIBITORS AND METHODS OF TREATMENT THEREWITH ASH1L, DOT1L, CHD1L ABCG2 3950/4885ASH1L 1/4885KCNJ1 4109/4885
US-20240245645-A1 ASH1L INHIBITORS AND METHODS AND TREATMENT THEREWITH ASH1L, DOT1L, CHD1L ABCG2 3972/4885ASH1L 1/4885KCNJ1 4198/4885
US-11883381-B2 ASH1L inhibitors and methods of treatment therewith ASH1L, DOT1L, CHD1L ABCG2 3950/4885ASH1L 1/4885KCNJ1 4109/4885

“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.