SCHEMBL21019846

SCHEMBL21019846

[O-][S+](Cc1ccc([N+]2(O)CCNCC2)cc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.42
▸ SDHB P21912 4/20 0.41
▸ KDM4E B2RXH2 11/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ ALDH1A1 P00352 7/20 0.39
▸ HPGD P15428 6/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.38

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
SCHEMBL23897438 0.90 KDM4E (0.46) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL20985711 0.82 KDM4E (0.47) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL29976621 0.82 SDHB (0.59) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL19805635 0.82 SDHB (0.59) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL29976249 0.81 SDHB (0.54) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL19805905 0.81 SDHB (0.54) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL19805732 0.78 TP53 (0.49) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL29976339 0.78 TP53 (0.49) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL29977092 0.78 ADORA2A (0.53) ADORA2ASDHBKDM4EMAPK1ALDH1A1
SCHEMBL19805742 0.78 ADORA2A (0.53) ADORA2ASDHBKDM4EMAPK1ALDH1A1

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-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-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-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — US 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 ADORA2A 4749/4885SDHB 3/4885KDM4E 1117/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ADORA2A 4749/4885SDHB 3/4885KDM4E 1117/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB ADORA2A 4749/4885SDHB 3/4885KDM4E 1117/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ADORA2A 4749/4885SDHB 3/4885KDM4E 1117/4885

“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.

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