SCHEMBL2386086

SCHEMBL2386086

O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1Br)N(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 9/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HTT P42858 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL2386718 0.79 ALDH1A1 (0.39) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL3456539 0.78 ALDH1A1 (0.55) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL3455419 0.70 ALDH1A1 (0.54) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL2390190 0.69 SRD5A2 (0.38) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL17476011 0.61 LMNA (0.47) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL5999227 0.59 ALDH1A1 (0.41) ALDH1A1MEN1HPGDKMT2ACYP2C19
SCHEMBL29173769 0.58 GRIN2D (0.44) ALDH1A1MEN1HPGDKMT2ANPSR1
SCHEMBL1420611 0.57 SMN1; SMN2 (0.52) SMN1; SMN2HSD17B10TSHRMAPK1CNR2
SCHEMBL9156847 0.57 NPSR1 (0.52) ALDH1A1MEN1HPGDKMT2ANPSR1
SCHEMBL30195080 0.56 LMNA (0.48) ALDH1A1HPGDCYP2C19LMNAHTT

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 9 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
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 — — 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
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 — — WO 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 ALDH1A1 4257/4885MEN1 3502/4885HPGD 1466/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MEN1 3502/4885HPGD 1466/4885

“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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