SCHEMBL30940692

SCHEMBL30940692

CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Br)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 2/20 0.46
KIT P10721 2/20 0.44
GPR119 Q8TDV5 5/20 0.43
HTT P42858 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
GBA1 P04062 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL29165882 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL30851276 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL2365916 0.88 MEN1 (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31027289 0.87 MEN1 (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4903232 0.87 MEN1 (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31410416 0.87 KMT2A (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31410432 0.87 KMT2A (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL2366233 0.86 KMT2A (0.76) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31410462 0.86 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31142882 0.86 KMT2A (0.76) MEN1KMT2ASMN1; SMN2LMNAMAPT

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 3 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
US-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS INSTITUT PASTEUR DE LILLE (FR) 2024-10-03 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

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-20240327354-A1 GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ATP4B MEN1 3855/4885KMT2A 2400/4885SMN1; SMN2 4873/4885
US-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 MEN1 2207/4885KMT2A 1024/4885SMN1; SMN2 3311/4885

“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.