SCHEMBL19805966

SCHEMBL19805966

C[S+]([O-])c1nc(N2CCOCC2)cc(C(F)(F)F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
TDP1 Q9NUW8 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TSHR P16473 5/20 0.42
HSD17B10 Q99714 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 3/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CA P42336 1/20 0.40

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
SCHEMBL29976432 1.00 NPSR1 (0.55) NPSR1TDP1L3MBTL1ATMKDM4E
SCHEMBL12562997 0.77 PIK3CB (0.46) NPSR1KDM4ETSHRHSD17B10CYP1A2
SCHEMBL24766533 0.76 NPSR1 (0.58) NPSR1TDP1L3MBTL1ATMKDM4E
SCHEMBL24766278 0.74 NPSR1 (0.59) NPSR1TDP1L3MBTL1ATMKDM4E
SCHEMBL15029287 0.73 PIK3CB (0.53) PIK3CAMTOR
SCHEMBL1595737 0.72 NPSR1 (0.58) NPSR1TDP1L3MBTL1ATMKDM4E
SCHEMBL9949541 0.69 PIK3CB (0.72) PIK3CAMTOR
SCHEMBL15029830 0.68 PIK3CB (0.55) PIK3CAMTOR
SCHEMBL15029836 0.68 PIK3CB (0.55) MAPK1KMT2APIK3CAMTORMEN1
SCHEMBL29976212 0.68 HRH4 (0.39) NPSR1HSD17B10CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB NPSR1 4745/4885TDP1 1479/4885L3MBTL1 1858/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB NPSR1 4745/4885TDP1 1479/4885L3MBTL1 1858/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB NPSR1 4745/4885TDP1 1479/4885L3MBTL1 1858/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB NPSR1 4745/4885TDP1 1479/4885L3MBTL1 1858/4885

“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.