SCHEMBL21552976

SCHEMBL21552976

CN1CCN(c2nc(/C=C/C(=O)O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
ESR1 P03372 1/20 0.38
HDAC3 O15379 5/20 0.37
HDAC4 P56524 5/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC7 Q8WUI4 5/20 0.37
HDAC2 Q92769 5/20 0.37
HDAC10 Q969S8 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
HDAC8 Q9BY41 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
HDAC9 Q9UKV0 5/20 0.37
HDAC5 Q9UQL6 5/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
PIM2 Q9P1W9 2/20 0.36
PIM1 P11309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL21564613 0.88 POLB (0.38) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL21553130 0.81 F13A1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21564477 0.76 KMT2A (0.40) JAK2JAK3PTK2ALDH1A1MAPT
SCHEMBL21552957 0.76 JAK2 (0.41) ATMJAK2JAK3PTK2ALDH1A1
SCHEMBL21553064 0.76 JAK2 (0.39) ATMJAK2JAK3PTK2KDM4E
SCHEMBL21564614 0.74 ALDH1A1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL21552887 0.74 L3MBTL1 (0.42) ATMJAK2JAK3PTK2KDM4E
SCHEMBL23258181 0.74 JAK2 (0.39) ATMJAK2JAK3PTK2ALDH1A1
SCHEMBL23242810 0.73 CTSL (0.44) ESR1PIM2KDM4EALDH1A1MAPT
SCHEMBL21552890 0.72 PTGS2 (0.37) HDAC4KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11932629-B2 KDM1A inhibitors for the treatment of disease IMAGO BIOSCIENCES, INC. (US) 2024-03-19 US disclosed
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES INC (US) 2023-08-10 US disclosed
US-11578059-B2 KDM1A inhibitors for the treatment of disease Imago Biosciences. Inc. (US) 2023-02-14 US disclosed
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. 2021-04-22 US disclosed
EP-3790867-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE Imago Biosciences Inc. (US) 2021-03-17 EP disclosed
WO-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 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 (4 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-11932629-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A ATM 2067/4885ESR1 2635/4885HDAC3 510/4885
US-20230250090-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1B, KDM1A, KDM2A ATM 2067/4885ESR1 2635/4885HDAC3 510/4885
US-20210115023-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE KDM1A, KDM1B, KDM2A ATM 1703/4885ESR1 2498/4885HDAC3 397/4885
US-11578059-B2 KDM1A inhibitors for the treatment of disease KDM1B, KDM1A, KDM2A ATM 2067/4885ESR1 2635/4885HDAC3 510/4885

“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.