SCHEMBL23560975

SCHEMBL23560975

CNC(=O)c1cnc(N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.55
PARP1 P09874 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
MAPT P10636 1/20 0.42
MAPK7 Q13164 1/20 0.42
BMPR1B O00238 1/20 0.41
ACVRL1 P37023 1/20 0.41

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
SCHEMBL12395357 0.86 HDAC6 (0.63) HDAC6ALDH1A1KDM4EHDAC3HDAC1
SCHEMBL598464 0.83 POLB (0.65) HDAC6TAAR1POLBALDH1A1KDM4E
SCHEMBL16651634 0.82 ALDH1A1 (0.50) HDAC6TAAR1POLBALDH1A1KDM4E
SCHEMBL3613525 0.81 OGA (0.49) HDAC6TAAR1POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL19283914 0.80 KDM4E (0.49) HDAC6TAAR1POLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL26633196 0.80 HPGDS (0.55) HDAC6PARP1HDAC3HDAC1HDAC2
SCHEMBL12524713 0.79 PARP1 (0.46) HDAC6PARP1POLBHDAC3HDAC1
SCHEMBL12525626 0.79 KDM1A (0.48) HDAC6PARP1POLBHDAC3HDAC1
SCHEMBL25419798 0.79 CHRNB2 (0.51) HDAC6TAAR1POLBALDH1A1KDM4E
SCHEMBL23744329 0.78 TSHR (0.53) HDAC6TAAR1POLBALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2021123291-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 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 (1 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 HDAC6 242/4885PARP1 6/4885TAAR1 4804/4885

“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.