SCHEMBL19806046

SCHEMBL19806046

COc1ccc(-c2cc(C)nc(Cl)n2)nn1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
HTT P42858 1/20 0.64
MAOB P27338 4/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 2/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL19806047 0.80 ALDH1A1 (0.44) ALDH1A1HTTMAOBKDM4EKMT2A
SCHEMBL21019859 0.76 ALDH1A1 (0.51) ALDH1A1HTTKDM4EKMT2AMEN1
SCHEMBL1456221 0.75 NNMT (0.46) ALDH1A1HTTMAOBKDM4ENPC1
SCHEMBL13052047 0.74 ALDH1A1 (0.42) ALDH1A1HTTMAOBKDM4ENPC1
SCHEMBL2131428 0.74 ALDH1A1 (0.70) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL12408679 0.69 MEN1 (0.70) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL2986102 0.69 HSP90AA1 (0.68) ALDH1A1KDM4EKMT2AMEN1HSP90AA1
SCHEMBL29228586 0.68 ALDH1A1 (0.62) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL3556326 0.67 KMO (0.57) ALDH1A1HTTKDM4ENPC1RAB9A
SCHEMBL21019881 0.67 ALDH1A1 (0.41) ALDH1A1HTTKDM4EKMT2AMEN1

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-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
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 ALDH1A1 550/4885HTT 788/4885MAOB 585/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885HTT 788/4885MAOB 585/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885HTT 788/4885MAOB 585/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885HTT 788/4885MAOB 585/4885

“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.