SCHEMBL2389797

SCHEMBL2389797

CCOC(=O)c1ccc(N2CCC(=Cc3ccccc3-c3ccc(CN4C5CCCC4CC5)s3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRF1 P14222 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ IL6 P05231 1/20 0.34
▸ MPI P34949 1/20 0.34
▸ EP300 Q09472 1/20 0.34
▸ PHOSPHO1 Q8TCT1 1/20 0.34
▸ KAT2A Q92830 1/20 0.34
▸ KAT2B Q92831 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL2388687 0.89 USP2 (0.34) ALDH1A1TSHRSMN1; SMN2NPC1POLB
SCHEMBL2800268 0.73 POLB (0.46) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL1742323 0.72 POLB (0.45) ALDH1A1TSHRMEN1KMT2APOLB
SCHEMBL1742121 0.70 ALDH1A1 (0.44) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL2385332 0.70 L3MBTL1 (0.39) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL63892 0.67 ALDH1A1 (0.63) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL14720551 0.66 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1POLBMAPT
SCHEMBL6135228 0.65 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL2387408 0.65 HPGD (0.45) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL4126209 0.65 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 — — EP disclosed
EP-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 — — EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 — — EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 — — US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 — — US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 — — US disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — 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 (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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PRF1 503/4885ALDH1A1 4257/4885TSHR 3724/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PRF1 503/4885ALDH1A1 4257/4885TSHR 3724/4885

“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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