SCHEMBL2389042

SCHEMBL2389042

COC(=O)CCCc1nc2cc(Br)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.49
HTT P42858 2/20 0.47
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
HDAC6 Q9UBN7 1/20 0.45
EGFR P00533 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL2404805 0.94 L3MBTL1 (0.45) DYRK1AHTTALOX15SMN1; SMN2L3MBTL1
SCHEMBL5256099 0.82 SMN1; SMN2 (0.70) HTTALOX15SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL2949405 0.79 PPARA (0.47) DYRK1AHTTL3MBTL1ALDH1A1TRPV1
SCHEMBL2945307 0.79 HDAC6 (0.70) DYRK1AHTTALOX15SMN1; SMN2L3MBTL1
SCHEMBL6642379 0.78 HTT (0.64) HTTALOX15SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL24365935 0.77 TRPV1 (0.44) DYRK1ATRPV1HDAC6TUBB4ATUBB
SCHEMBL32689351 0.77 TRPV1 (0.44) DYRK1ATRPV1HDAC6TUBB4ATUBB
SCHEMBL4470438 0.76 DYRK1A (0.45) DYRK1AHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5946247 0.75 DYRK1A (0.47) DYRK1AALDH1A1TRPV1HDAC6TUBB4A
SCHEMBL489036 0.75 TRPV1 (0.48) DYRK1AHTTALOX15SMN1; SMN2TRPV1

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
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-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 DYRK1A 4612/4885HTT 3493/4885ALOX15 1003/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 DYRK1A 4612/4885HTT 3493/4885ALOX15 1003/4885

“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.